CID 85873317

3-bromo-2-cyanobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H3BrClNO2S
SMILES
C1=CC(=C(C(=C1)Br)C#N)S(=O)(=O)Cl
InChI
InChI=1S/C7H3BrClNO2S/c8-6-2-1-3-7(5(6)4-10)13(9,11)12/h1-3H
InChIKey
SLGAZEDYQWSNKB-UHFFFAOYSA-N
Compound name
3-bromo-2-cyanobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

278.87564 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.88292 143.2
[M+Na]+ 301.86486 160.3
[M-H]- 277.86836 149.7
[M+NH4]+ 296.90946 163.0
[M+K]+ 317.83880 147.1
[M+H-H2O]+ 261.87290 138.5
[M+HCOO]- 323.87384 155.6
[M+CH3COO]- 337.88949 200.3
[M+Na-2H]- 299.85031 149.3
[M]+ 278.87509 159.4
[M]- 278.87619 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