CID 2800737

N-[(4-chlorophenyl)methyl]methanesulfonamide

Structural Information

Molecular Formula
C8H10ClNO2S
SMILES
CS(=O)(=O)NCC1=CC=C(C=C1)Cl
InChI
InChI=1S/C8H10ClNO2S/c1-13(11,12)10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
InChIKey
CRYRIYLKDDYXOB-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

30
Patents

219.01208 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.019356 142.2
[M+Na]+ 242.001298 151.6
[M-H]- 218.004804 146.5
[M+NH4]+ 237.045903 162.0
[M+K]+ 257.975238 147.1
[M+H-H2O]+ 202.009340 137.6
[M+HCOO]- 264.010281 157.4
[M+CH3COO]- 278.025931 184.6
[M+Na-2H]- 239.986746 147.5
[M]+ 219.01153142 146.3
[M]- 219.01262858 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe