CID 94385

2-chloropropanamide

Structural Information

Molecular Formula
C3H6ClNO
SMILES
CC(C(=O)N)Cl
InChI
InChI=1S/C3H6ClNO/c1-2(4)3(5)6/h2H,1H3,(H2,5,6)
InChIKey
OEZPDHRXGCLGKB-UHFFFAOYSA-N
Compound name
2-chloropropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

916
Patents

107.013794 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.02107 116.7
[M+Na]+ 130.00301 127.0
[M+NH4]+ 125.04762 125.1
[M+K]+ 145.97695 122.6
[M-H]- 106.00652 116.3
[M+Na-2H]- 127.98846 120.7
[M]+ 107.01325 118.0
[M]- 107.01434 118.0
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