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
1
Annotation Hits

0
References

343
Patents

355.96118 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.96846 164.0
[M+Na]+ 378.95040 172.3
[M-H]- 354.95390 159.5
[M+NH4]+ 373.99500 176.4
[M+K]+ 394.92434 167.5
[M+H-H2O]+ 338.95844 153.3
[M+HCOO]- 400.95938 166.0
[M+CH3COO]- 414.97503 202.4
[M+Na-2H]- 376.93585 167.2
[M]+ 355.96063 159.4
[M]- 355.96173 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