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 146.8
[M+Na]+ 276.98347 159.4
[M-H]- 252.98697 155.8
[M+NH4]+ 272.02807 164.1
[M+K]+ 292.95741 148.4
[M+H-H2O]+ 236.99151 147.4
[M+HCOO]- 298.99245 166.7
[M+CH3COO]- 313.00810 191.1
[M+Na-2H]- 274.96892 154.0
[M]+ 253.99370 166.9
[M]- 253.99480 166.9
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.