CID 75564

4-chlorobutanamide

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

5197
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 120.6
[M+Na]+ 144.01866 131.0
[M+NH4]+ 139.06326 128.9
[M+K]+ 159.99260 125.6
[M-H]- 120.02216 120.4
[M+Na-2H]- 142.00411 124.8
[M]+ 121.02889 122.0
[M]- 121.02999 122.0
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