CID 22397826

1-bromo-3-((trifluoromethyl)sulfonyl)benzene

Structural Information

Molecular Formula
C7H4BrF3O2S
SMILES
C1=CC(=CC(=C1)Br)S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C7H4BrF3O2S/c8-5-2-1-3-6(4-5)14(12,13)7(9,10)11/h1-4H
InChIKey
VHAFOFLCIMSUTR-UHFFFAOYSA-N
Compound name
1-bromo-3-(trifluoromethylsulfonyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

287.90674 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.91402 150.5
[M+Na]+ 310.89596 151.3
[M+NH4]+ 305.94056 153.0
[M+K]+ 326.86990 151.0
[M-H]- 286.89946 146.1
[M+Na-2H]- 308.88141 151.7
[M]+ 287.90619 148.5
[M]- 287.90729 148.5
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