CID 79982

3-chloropropionamide

Structural Information

Molecular Formula
C3H6ClNO
SMILES
C(CCl)C(=O)N
InChI
InChI=1S/C3H6ClNO/c4-2-1-3(5)6/h1-2H2,(H2,5,6)
InChIKey
JQDXZJYAUSVHDH-UHFFFAOYSA-N
Compound name
3-chloropropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

2434
Patents

107.013794 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.02107 117.4
[M+Na]+ 130.00301 125.8
[M-H]- 106.00652 117.6
[M+NH4]+ 125.04762 140.7
[M+K]+ 145.97695 124.1
[M+H-H2O]+ 90.011054 114.2
[M+HCOO]- 152.01200 137.5
[M+CH3COO]- 166.02764 167.9
[M+Na-2H]- 127.98846 123.5
[M]+ 107.01325 117.6
[M]- 107.01434 117.6
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