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

literature stripe

Patent stripe

patents stripe