CID 86811465

3-bromo-5-(trifluoromethoxy)benzenesulfonyl chloride

Structural Information

Molecular Formula
C7H3BrClF3O3S
SMILES
C1=C(C=C(C=C1S(=O)(=O)Cl)Br)OC(F)(F)F
InChI
InChI=1S/C7H3BrClF3O3S/c8-4-1-5(15-7(10,11)12)3-6(2-4)16(9,13)14/h1-3H
InChIKey
QUHVGVFZSYAZRX-UHFFFAOYSA-N
Compound name
3-bromo-5-(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]+ 338.869976 148.0
[M+Na]+ 360.851918 163.3
[M-H]- 336.855424 152.0
[M+NH4]+ 355.896523 167.4
[M+K]+ 376.825858 149.8
[M+H-H2O]+ 320.859960 147.6
[M+HCOO]- 382.860901 156.7
[M+CH3COO]- 396.876551 197.4
[M+Na-2H]- 358.837366 154.1
[M]+ 337.86215142 168.7
[M]- 337.86324858 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.