CID 83744838

1505800-30-5

Structural Information

Molecular Formula

C₁₀H₈BrClO₂

SMILES

C1CC1(C2=CC(=CC(=C2)Br)Cl)C(=O)O

InChI

InChI=1S/C10H8BrClO2/c11-7-3-6(4-8(12)5-7)10(1-2-10)9(13)14/h3-5H,1-2H2,(H,13,14)

InChIKey

WUJVNRQAXDCWBF-UHFFFAOYSA-N

Compound name

1-(3-bromo-5-chlorophenyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 273.9396 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe