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

23
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 117.8
[M+Na]+ 142.98703 130.7
[M+NH4]+ 138.03163 126.9
[M+K]+ 158.96097 127.4
[M-H]- 118.99053 124.9
[M+Na-2H]- 140.97248 125.4
[M]+ 119.99726 122.8
[M]- 119.99836 122.8
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