CID 137965788

2168812-38-0

Structural Information

Molecular Formula
C7H3BrClF3O3S
SMILES
C1=CC(=C(C(=C1)Br)S(=O)(=O)Cl)OC(F)(F)F
InChI
InChI=1S/C7H3BrClF3O3S/c8-4-2-1-3-5(15-7(10,11)12)6(4)16(9,13)14/h1-3H
InChIKey
PKVWFJNEAMHKAH-UHFFFAOYSA-N
Compound name
2-bromo-6-(trifluoromethoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.8627 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.86998 148.0
[M+Na]+ 360.85192 163.3
[M-H]- 336.85542 152.0
[M+NH4]+ 355.89652 167.4
[M+K]+ 376.82586 149.8
[M+H-H2O]+ 320.85996 147.6
[M+HCOO]- 382.86090 156.7
[M+CH3COO]- 396.87655 197.4
[M+Na-2H]- 358.83737 154.1
[M]+ 337.86215 168.7
[M]- 337.86325 168.7
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

No patent data available for this compound.