CID 21804834

N-[4-(chloromethyl)phenyl]methanesulfonamide

Structural Information

Molecular Formula
C8H10ClNO2S
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)CCl
InChI
InChI=1S/C8H10ClNO2S/c1-13(11,12)10-8-4-2-7(6-9)3-5-8/h2-5,10H,6H2,1H3
InChIKey
BLURUCQOSCUCGV-UHFFFAOYSA-N
Compound name
N-[4-(chloromethyl)phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

219.01208 Da
Monoisotopic Mass

1.3
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

No literature data available for this compound.

Patent stripe

patents stripe