CID 162441

(bis((trifluoromethyl)sulfonyl)methyl)benzene

Structural Information

Molecular Formula
C9H6F6O4S2
SMILES
C1=CC=C(C=C1)C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C9H6F6O4S2/c10-8(11,12)20(16,17)7(6-4-2-1-3-5-6)21(18,19)9(13,14)15/h1-5,7H
InChIKey
ZMWKYYJODBYKHO-UHFFFAOYSA-N
Compound name
bis(trifluoromethylsulfonyl)methylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

334
Patents

355.96118 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.968456 164.0
[M+Na]+ 378.950398 172.3
[M-H]- 354.953904 159.5
[M+NH4]+ 373.995003 176.4
[M+K]+ 394.924338 167.5
[M+H-H2O]+ 338.958440 153.3
[M+HCOO]- 400.959381 166.0
[M+CH3COO]- 414.975031 202.4
[M+Na-2H]- 376.935846 167.2
[M]+ 355.96063142 159.4
[M]- 355.96172858 159.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe