PubChemLite - Tfmeodfpo-cf2-3hidfp (C26H19F9O2)

Structural Information

Molecular Formula

SMILES

CCCC1CC2=C(C1)C=C(C=C2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)OC(F)(F)F)F)(F)F)F

InChI

InChI=1S/C26H19F9O2/c1-2-3-13-6-14-4-5-15(8-16(14)7-13)17-9-19(27)23(20(28)10-17)25(31,32)36-18-11-21(29)24(22(30)12-18)37-26(33,34)35/h4-5,8-13H,2-3,6-7H2,1H3

InChIKey

QGRWKFHWBGHIMR-UHFFFAOYSA-N

Compound name

5-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-2-propyl-2,3-dihydro-1H-indene

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]+	535.13143	226.7
[M+Na]+	557.11337	237.8
[M-H]-	533.11687	226.7
[M+NH4]+	552.15797	235.3
[M+K]+	573.08731	228.9
[M+H-H2O]+	517.12141	210.6
[M+HCOO]-	579.12235	234.1
[M+CH3COO]-	593.13800	248.7
[M+Na-2H]-	555.09882	220.3
[M]+	534.12360	219.7
[M]-	534.12470	219.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

535.13143

226.7

[M+Na]+

557.11337

237.8

[M-H]-

533.11687

226.7

[M+NH4]+

552.15797

235.3

[M+K]+

573.08731

228.9

[M+H-H2O]+

517.12141

210.6

[M+HCOO]-

579.12235

234.1

[M+CH3COO]-

593.13800

248.7

[M+Na-2H]-

555.09882

220.3

[M]+

534.12360

219.7

[M]-

534.12470

219.7

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

Tfmeodfpo-cf2-3hidfp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe