CID 13614818

3-chloropropane-1-sulfonamide

Structural Information

Molecular Formula
C3H8ClNO2S
SMILES
C(CS(=O)(=O)N)CCl
InChI
InChI=1S/C3H8ClNO2S/c4-2-1-3-8(5,6)7/h1-3H2,(H2,5,6,7)
InChIKey
QMSSNRWVQWLVHG-UHFFFAOYSA-N
Compound name
3-chloropropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

634
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 127.1
[M+Na]+ 179.98565 136.1
[M-H]- 155.98915 127.6
[M+NH4]+ 175.03025 148.9
[M+K]+ 195.95959 132.9
[M+H-H2O]+ 139.99369 123.8
[M+HCOO]- 201.99463 141.5
[M+CH3COO]- 216.01028 172.5
[M+Na-2H]- 177.97110 131.5
[M]+ 156.99588 130.0
[M]- 156.99698 130.0
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

No patent data available for this compound.