CID 102621

2,2-dichloro-1-methylcyclopropanecarboxylic acid

Structural Information

Molecular Formula
C5H6Cl2O2
SMILES
CC1(CC1(Cl)Cl)C(=O)O
InChI
InChI=1S/C5H6Cl2O2/c1-4(3(8)9)2-5(4,6)7/h2H2,1H3,(H,8,9)
InChIKey
BIUUWIKPBYWKEQ-UHFFFAOYSA-N
Compound name
2,2-dichloro-1-methylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

244
Patents

167.97449 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.98177 122.4
[M+Na]+ 190.96371 134.1
[M-H]- 166.96721 126.0
[M+NH4]+ 186.00831 142.4
[M+K]+ 206.93765 131.0
[M+H-H2O]+ 150.97175 122.0
[M+HCOO]- 212.97269 135.2
[M+CH3COO]- 226.98834 176.8
[M+Na-2H]- 188.94916 129.7
[M]+ 167.97394 127.7
[M]- 167.97504 127.7
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