CID 89092

N-(2-chloroethyl)methanesulfonamide

Structural Information

Molecular Formula
C3H8ClNO2S
SMILES
CS(=O)(=O)NCCCl
InChI
InChI=1S/C3H8ClNO2S/c1-8(6,7)5-3-2-4/h5H,2-3H2,1H3
InChIKey
HLEGMLHPZDVLQL-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

156.99643 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.00371 126.8
[M+Na]+ 179.98565 135.8
[M-H]- 155.98915 127.9
[M+NH4]+ 175.03025 148.9
[M+K]+ 195.95959 133.0
[M+H-H2O]+ 139.99369 123.5
[M+HCOO]- 201.99463 141.8
[M+CH3COO]- 216.01028 173.2
[M+Na-2H]- 177.97110 132.3
[M]+ 156.99588 130.7
[M]- 156.99698 130.7
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