CID 6464358

N-[(3-bromophenyl)methyl]methanesulfonamide

Structural Information

Molecular Formula
C8H10BrNO2S
SMILES
CS(=O)(=O)NCC1=CC(=CC=C1)Br
InChI
InChI=1S/C8H10BrNO2S/c1-13(11,12)10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3
InChIKey
WWJKDFBCAXJDCX-UHFFFAOYSA-N
Compound name
N-[(3-bromophenyl)methyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

262.96155 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.968826 138.8
[M+Na]+ 285.950768 150.9
[M-H]- 261.954274 145.5
[M+NH4]+ 280.995373 159.5
[M+K]+ 301.924708 138.7
[M+H-H2O]+ 245.958810 138.7
[M+HCOO]- 307.959751 156.3
[M+CH3COO]- 321.975401 190.8
[M+Na-2H]- 283.936216 146.3
[M]+ 262.96100142 159.4
[M]- 262.96209858 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