CID 139053

7623-11-2

Structural Information

Molecular Formula
C4H6Cl2O
SMILES
CCC(C(=O)Cl)Cl
InChI
InChI=1S/C4H6Cl2O/c1-2-3(5)4(6)7/h3H,2H2,1H3
InChIKey
KVQJVAOMYWTLEO-UHFFFAOYSA-N
Compound name
2-chlorobutanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

994
Patents

139.97957 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.986846 121.5
[M+Na]+ 162.968788 130.6
[M-H]- 138.972294 121.7
[M+NH4]+ 158.013393 144.4
[M+K]+ 178.942728 127.7
[M+H-H2O]+ 122.976830 119.6
[M+HCOO]- 184.977771 135.0
[M+CH3COO]- 198.993421 172.9
[M+Na-2H]- 160.954236 126.3
[M]+ 139.97902142 124.1
[M]- 139.98011858 124.1
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