CID 22774632

N-(4-bromo-2-chlorophenyl)methanesulfonamide

Structural Information

Molecular Formula
C7H7BrClNO2S
SMILES
CS(=O)(=O)NC1=C(C=C(C=C1)Br)Cl
InChI
InChI=1S/C7H7BrClNO2S/c1-13(11,12)10-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3
InChIKey
UQKDFHKTGLZENW-UHFFFAOYSA-N
Compound name
N-(4-bromo-2-chlorophenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

282.90695 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.91423 138.9
[M+Na]+ 305.89617 153.1
[M-H]- 281.89967 146.3
[M+NH4]+ 300.94077 160.1
[M+K]+ 321.87011 139.3
[M+H-H2O]+ 265.90421 140.2
[M+HCOO]- 327.90515 152.5
[M+CH3COO]- 341.92080 192.6
[M+Na-2H]- 303.88162 146.1
[M]+ 282.90640 161.3
[M]- 282.90750 161.3
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

patents stripe