CID 130559967

(4-bromo-2-cyanophenyl)methanesulfonamide

Structural Information

Molecular Formula
C8H7BrN2O2S
SMILES
C1=CC(=C(C=C1Br)C#N)CS(=O)(=O)N
InChI
InChI=1S/C8H7BrN2O2S/c9-8-2-1-6(5-14(11,12)13)7(3-8)4-10/h1-3H,5H2,(H2,11,12,13)
InChIKey
XASIZNAJRDISJQ-UHFFFAOYSA-N
Compound name
(4-bromo-2-cyanophenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.94116 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.94844 147.3
[M+Na]+ 296.93038 161.7
[M-H]- 272.93388 152.4
[M+NH4]+ 291.97498 165.4
[M+K]+ 312.90432 149.6
[M+H-H2O]+ 256.93842 140.4
[M+HCOO]- 318.93936 163.0
[M+CH3COO]- 332.95501 203.2
[M+Na-2H]- 294.91583 152.3
[M]+ 273.94061 160.3
[M]- 273.94171 160.3
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.