CID 83693354

At42192

Structural Information

Molecular Formula
C11H11BrO2
SMILES
C1CC1(CC(=O)O)C2=CC=CC=C2Br
InChI
InChI=1S/C11H11BrO2/c12-9-4-2-1-3-8(9)11(5-6-11)7-10(13)14/h1-4H,5-7H2,(H,13,14)
InChIKey
ZXEZWDCKMXWNNC-UHFFFAOYSA-N
Compound name
2-[1-(2-bromophenyl)cyclopropyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.99425 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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.