CID 344969

2-chlorobutyramide

Structural Information

Molecular Formula
C4H8ClNO
SMILES
CCC(C(=O)N)Cl
InChI
InChI=1S/C4H8ClNO/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H2,6,7)
InChIKey
VJIOSCMTZVXQQU-UHFFFAOYSA-N
Compound name
2-chlorobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

313
Patents

121.02944 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.03672 121.2
[M+Na]+ 144.01866 131.2
[M+NH4]+ 139.06326 129.4
[M+K]+ 159.99260 126.6
[M-H]- 120.02216 120.8
[M+Na-2H]- 142.00411 124.9
[M]+ 121.02889 122.4
[M]- 121.02999 122.4
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