CID 575534

1-(3,4-dichlorophenyl)cyclopropanecarboxylic acid

Structural Information

Molecular Formula
C10H8Cl2O2
SMILES
C1CC1(C2=CC(=C(C=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C10H8Cl2O2/c11-7-2-1-6(5-8(7)12)10(3-4-10)9(13)14/h1-2,5H,3-4H2,(H,13,14)
InChIKey
VNBCEUVYNYCYBW-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

123
Patents

229.99013 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.99741 137.2
[M+Na]+ 252.97935 148.6
[M-H]- 228.98285 143.3
[M+NH4]+ 248.02395 153.1
[M+K]+ 268.95329 143.5
[M+H-H2O]+ 212.98739 134.0
[M+HCOO]- 274.98833 150.6
[M+CH3COO]- 289.00398 187.8
[M+Na-2H]- 250.96480 142.7
[M]+ 229.98958 142.4
[M]- 229.99068 142.4
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