CID 13770582

4-chloro-2-methylbutanoyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

153.99522 Da
Monoisotopic Mass

2.2
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

No literature data available for this compound.

Patent stripe

patents stripe