CID 75564

4-chlorobutyramide

Structural Information

Molecular Formula
C4H8ClNO
SMILES
C(CC(=O)N)CCl
InChI
InChI=1S/C4H8ClNO/c5-3-1-2-4(6)7/h1-3H2,(H2,6,7)
InChIKey
XYOXIERJKILWCG-UHFFFAOYSA-N
Compound name
4-chlorobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6051
Patents

121.02944 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.03672 122.1
[M+Na]+ 144.01866 130.1
[M-H]- 120.02216 122.1
[M+NH4]+ 139.06326 144.8
[M+K]+ 159.99260 128.1
[M+H-H2O]+ 104.02670 118.7
[M+HCOO]- 166.02764 141.9
[M+CH3COO]- 180.04329 171.0
[M+Na-2H]- 142.00411 127.7
[M]+ 121.02889 122.6
[M]- 121.02999 122.6
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