CID 2794975

2,2-dichlorocyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C4H4Cl2O2
SMILES
C1C(C1(Cl)Cl)C(=O)O
InChI
InChI=1S/C4H4Cl2O2/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H,7,8)
InChIKey
GVGFEJPTKINGLP-UHFFFAOYSA-N
Compound name
2,2-dichlorocyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

187
Patents

153.95883 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.966106 119.4
[M+Na]+ 176.948048 130.9
[M-H]- 152.951554 122.7
[M+NH4]+ 171.992653 138.1
[M+K]+ 192.921988 127.1
[M+H-H2O]+ 136.956090 117.7
[M+HCOO]- 198.957031 132.8
[M+CH3COO]- 212.972681 174.2
[M+Na-2H]- 174.933496 126.0
[M]+ 153.95828142 123.9
[M]- 153.95937858 123.9
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