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

435
Patents

121.02944 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.036716 122.3
[M+Na]+ 144.018658 130.1
[M-H]- 120.022164 122.4
[M+NH4]+ 139.063263 145.0
[M+K]+ 159.992598 128.5
[M+H-H2O]+ 104.026700 119.0
[M+HCOO]- 166.027641 141.1
[M+CH3COO]- 180.043291 171.8
[M+Na-2H]- 142.004106 126.6
[M]+ 121.02889142 122.2
[M]- 121.02998858 122.2
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