CID 12603962

4-chloropentanoyl chloride

Structural Information

Molecular Formula
C5H8Cl2O
SMILES
CC(CCC(=O)Cl)Cl
InChI
InChI=1S/C5H8Cl2O/c1-4(6)2-3-5(7)8/h4H,2-3H2,1H3
InChIKey
HCBIDLRKPXILPU-UHFFFAOYSA-N
Compound name
4-chloropentanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

201
Patents

153.99522 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.002496 126.3
[M+Na]+ 176.984438 134.9
[M-H]- 152.987944 126.2
[M+NH4]+ 172.029043 148.6
[M+K]+ 192.958378 131.8
[M+H-H2O]+ 136.992480 124.1
[M+HCOO]- 198.993421 139.4
[M+CH3COO]- 213.009071 175.8
[M+Na-2H]- 174.969886 130.5
[M]+ 153.99467142 129.3
[M]- 153.99576858 129.3
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