CID 18461

4-chlorobutane-1-sulfonamide

Structural Information

Molecular Formula
C4H10ClNO2S
SMILES
C(CCCl)CS(=O)(=O)N
InChI
InChI=1S/C4H10ClNO2S/c5-3-1-2-4-9(6,7)8/h1-4H2,(H2,6,7,8)
InChIKey
JTGPQGWEMUOOCR-UHFFFAOYSA-N
Compound name
4-chlorobutane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

61
Patents

171.01208 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.01936 131.6
[M+Na]+ 194.00130 140.1
[M-H]- 170.00480 131.9
[M+NH4]+ 189.04590 152.8
[M+K]+ 209.97524 136.7
[M+H-H2O]+ 154.00934 128.1
[M+HCOO]- 216.01028 145.6
[M+CH3COO]- 230.02593 175.5
[M+Na-2H]- 191.98675 135.5
[M]+ 171.01153 134.8
[M]- 171.01263 134.8
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