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

591
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

literature stripe

Patent stripe

patents stripe