CID 165606263

3-bromo-5-(difluoromethoxy)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H4BrClF2O3S
SMILES
C1=C(C=C(C=C1S(=O)(=O)Cl)Br)OC(F)F
InChI
InChI=1S/C7H4BrClF2O3S/c8-4-1-5(14-7(10)11)3-6(2-4)15(9,12)13/h1-3,7H
InChIKey
OKTZKKWIRYIRMH-UHFFFAOYSA-N
Compound name
3-bromo-5-(difluoromethoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.8721 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.87938 143.0
[M+Na]+ 342.86132 157.6
[M-H]- 318.86482 147.9
[M+NH4]+ 337.90592 162.9
[M+K]+ 358.83526 144.4
[M+H-H2O]+ 302.86936 143.1
[M+HCOO]- 364.87030 153.1
[M+CH3COO]- 378.88595 195.8
[M+Na-2H]- 340.84677 147.9
[M]+ 319.87155 164.9
[M]- 319.87265 164.9
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.