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

74
Patents

153.99522 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.00250 126.3
[M+Na]+ 176.98444 134.9
[M-H]- 152.98794 126.2
[M+NH4]+ 172.02904 148.6
[M+K]+ 192.95838 131.8
[M+H-H2O]+ 136.99248 124.1
[M+HCOO]- 198.99342 139.4
[M+CH3COO]- 213.00907 175.8
[M+Na-2H]- 174.96989 130.5
[M]+ 153.99467 129.3
[M]- 153.99577 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