CID 10035328

3-chloro-n,n-dimethylpropane-1-sulfonamide

Structural Information

Molecular Formula
C5H12ClNO2S
SMILES
CN(C)S(=O)(=O)CCCCl
InChI
InChI=1S/C5H12ClNO2S/c1-7(2)10(8,9)5-3-4-6/h3-5H2,1-2H3
InChIKey
NCZGIOUJVDTSNN-UHFFFAOYSA-N
Compound name
3-chloro-N,N-dimethylpropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

185.02773 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03501 135.2
[M+Na]+ 208.01695 143.5
[M-H]- 184.02045 137.5
[M+NH4]+ 203.06155 156.9
[M+K]+ 223.99089 141.7
[M+H-H2O]+ 168.02499 131.3
[M+HCOO]- 230.02593 150.1
[M+CH3COO]- 244.04158 182.7
[M+Na-2H]- 206.00240 139.1
[M]+ 185.02718 141.2
[M]- 185.02828 141.2
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