CID 76225776

1-chloro-2-(chloromethyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C5H6Cl2O2
SMILES
C1C(C1(C(=O)O)Cl)CCl
InChI
InChI=1S/C5H6Cl2O2/c6-2-3-1-5(3,7)4(8)9/h3H,1-2H2,(H,8,9)
InChIKey
JOPPRLFCJUEYDW-UHFFFAOYSA-N
Compound name
1-chloro-2-(chloromethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.97449 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.98177 123.6
[M+Na]+ 190.96371 134.8
[M-H]- 166.96721 126.8
[M+NH4]+ 186.00831 141.8
[M+K]+ 206.93765 130.7
[M+H-H2O]+ 150.97175 121.8
[M+HCOO]- 212.97269 136.7
[M+CH3COO]- 226.98834 177.0
[M+Na-2H]- 188.94916 129.7
[M]+ 167.97394 128.5
[M]- 167.97504 128.5
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

No patent data available for this compound.