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

5286
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.