CID 3017751

Butanamide, 2-chloro-3-oxo-

Structural Information

Molecular Formula
C4H6ClNO2
SMILES
CC(=O)C(C(=O)N)Cl
InChI
InChI=1S/C4H6ClNO2/c1-2(7)3(5)4(6)8/h3H,1H3,(H2,6,8)
InChIKey
AOOLFYMBFIGYDE-UHFFFAOYSA-N
Compound name
2-chloro-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

135.00871 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.01599 123.4
[M+Na]+ 157.99793 131.3
[M-H]- 134.00143 123.7
[M+NH4]+ 153.04253 145.4
[M+K]+ 173.97187 130.0
[M+H-H2O]+ 118.00597 120.1
[M+HCOO]- 180.00691 141.8
[M+CH3COO]- 194.02256 173.8
[M+Na-2H]- 155.98338 126.6
[M]+ 135.00816 123.5
[M]- 135.00926 123.5
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