947488-89-3 (C18H22F6O6S2Si2)

Structural Information

Molecular Formula

SMILES

C[Si](C)(C)C1=CC2=CC(=C(C=C2C=C1OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)[Si](C)(C)C

InChI

InChI=1S/C18H22F6O6S2Si2/c1-33(2,3)15-9-12-10-16(34(4,5)6)14(30-32(27,28)18(22,23)24)8-11(12)7-13(15)29-31(25,26)17(19,20)21/h7-10H,1-6H3

InChIKey

UPVMIHWJKQENFP-UHFFFAOYSA-N

Compound name

[7-(trifluoromethylsulfonyloxy)-3,6-bis(trimethylsilyl)naphthalen-2-yl] trifluoromethanesulfonate

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]+	569.037276	215.7
[M+Na]+	591.019218	222.7
[M-H]-	567.022724	211.2
[M+NH4]+	586.063823	222.1
[M+K]+	606.993158	218.7
[M+H-H2O]+	551.027260	204.3
[M+HCOO]-	613.028201	212.4
[M+CH3COO]-	627.043851	240.5
[M+Na-2H]-	589.004666	221.6
[M]+	568.02945142	217.1
[M]-	568.03054858	217.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

569.037276

215.7

[M+Na]+

591.019218

222.7

[M-H]-

567.022724

211.2

[M+NH4]+

586.063823

222.1

[M+K]+

606.993158

218.7

[M+H-H2O]+

551.027260

204.3

[M+HCOO]-

613.028201

212.4

[M+CH3COO]-

627.043851

240.5

[M+Na-2H]-

589.004666

221.6

[M]+

568.02945142

217.1

[M]-

568.03054858

217.1

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

947488-89-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe