PubChemLite - 139194-06-2 (C20H48F4N6O4P2)

Structural Information

Molecular Formula

SMILES

CN(C)P(N1CCOCCOCCN(CCOCCOCC1)P(N(C)C)(N(C)C)(F)F)(N(C)C)(F)F

InChI

InChI=1S/C20H48F4N6O4P2/c1-25(2)35(21,22,26(3)4)29-9-13-31-17-19-33-15-11-30(12-16-34-20-18-32-14-10-29)36(23,24,27(5)6)28(7)8/h9-20H2,1-8H3

InChIKey

ZNZLSRUXRJSWPX-UHFFFAOYSA-N

Compound name

N-[[16-[bis(dimethylamino)-difluoro-lambda5-phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-(dimethylamino)-difluoro-lambda5-phosphanyl]-N-methylmethanamine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	575.32208	242.8
[M+Na]+	597.30402	240.0
[M-H]-	573.30752	241.8
[M+NH4]+	592.34862	237.8
[M+K]+	613.27796	247.0
[M+H-H2O]+	557.31206	229.7
[M+HCOO]-	619.31300	258.4
[M+CH3COO]-	633.32865	265.4
[M+Na-2H]-	595.28947	230.8
[M]+	574.31425	234.6
[M]-	574.31535	234.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

575.32208

242.8

[M+Na]+

597.30402

240.0

[M-H]-

573.30752

241.8

[M+NH4]+

592.34862

237.8

[M+K]+

613.27796

247.0

[M+H-H2O]+

557.31206

229.7

[M+HCOO]-

619.31300

258.4

[M+CH3COO]-

633.32865

265.4

[M+Na-2H]-

595.28947

230.8

[M]+

574.31425

234.6

[M]-

574.31535

234.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

139194-06-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe