CID 13399523

2-chlorocyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C4H5ClO2
SMILES
C1C(C1Cl)C(=O)O
InChI
InChI=1S/C4H5ClO2/c5-3-1-2(3)4(6)7/h2-3H,1H2,(H,6,7)
InChIKey
KIOFZHBEJQGHPB-UHFFFAOYSA-N
Compound name
2-chlorocyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

119.99781 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.00509 116.4
[M+Na]+ 142.98703 127.4
[M-H]- 118.99053 120.3
[M+NH4]+ 138.03163 134.3
[M+K]+ 158.96097 124.1
[M+H-H2O]+ 102.99507 112.6
[M+HCOO]- 164.99601 135.0
[M+CH3COO]- 179.01166 169.8
[M+Na-2H]- 140.97248 122.5
[M]+ 119.99726 119.9
[M]- 119.99836 119.9
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.