CID 83744840

1314775-36-4

Structural Information

Molecular Formula
C10H8BrClO2
SMILES
C1CC1(C2=CC(=C(C=C2)Cl)Br)C(=O)O
InChI
InChI=1S/C10H8BrClO2/c11-7-5-6(1-2-8(7)12)10(3-4-10)9(13)14/h1-2,5H,3-4H2,(H,13,14)
InChIKey
XHRHNFHYFQBJLJ-UHFFFAOYSA-N
Compound name
1-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.9396 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.94688 144.1
[M+Na]+ 296.92882 158.6
[M-H]- 272.93232 153.3
[M+NH4]+ 291.97342 161.8
[M+K]+ 312.90276 146.0
[M+H-H2O]+ 256.93686 145.9
[M+HCOO]- 318.93780 160.2
[M+CH3COO]- 332.95345 192.8
[M+Na-2H]- 294.91427 151.2
[M]+ 273.93905 166.0
[M]- 273.94015 166.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.