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

60
Patents

171.01208 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.019356 131.6
[M+Na]+ 194.001298 140.1
[M-H]- 170.004804 131.9
[M+NH4]+ 189.045903 152.8
[M+K]+ 209.975238 136.7
[M+H-H2O]+ 154.009340 128.1
[M+HCOO]- 216.010281 145.6
[M+CH3COO]- 230.025931 175.5
[M+Na-2H]- 191.986746 135.5
[M]+ 171.01153142 134.8
[M]- 171.01262858 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