CID 65811456

29765-45-5

Structural Information

Molecular Formula

C₁₁H₁₁BrO₂

SMILES

C1CC1(CC2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C11H11BrO2/c12-9-3-1-8(2-4-9)7-11(5-6-11)10(13)14/h1-4H,5-7H2,(H,13,14)

InChIKey

ABXVZMQHFZWQCA-UHFFFAOYSA-N

Compound name

1-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 253.99425 Da
Monoisotopic Mass: 2.7
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]+	255.00153	141.3
[M+Na]+	276.98347	146.1
[M+NH4]+	272.02807	148.0
[M+K]+	292.95741	146.0
[M-H]-	252.98697	148.6
[M+Na-2H]-	274.96892	149.2
[M]+	253.99370	144.1
[M]-	253.99480	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe