CID 23295060

151157-44-7

Structural Information

Molecular Formula
C11H11BrO2
SMILES
C1CC(C1)(C2=CC=CC=C2Br)C(=O)O
InChI
InChI=1S/C11H11BrO2/c12-9-5-2-1-4-8(9)11(10(13)14)6-3-7-11/h1-2,4-5H,3,6-7H2,(H,13,14)
InChIKey
YQKIWDAWRORBMI-UHFFFAOYSA-N
Compound name
1-(2-bromophenyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 146.1
[M+Na]+ 276.98347 145.2
[M+NH4]+ 272.02807 148.7
[M+K]+ 292.95741 145.6
[M-H]- 252.98697 144.9
[M+Na-2H]- 274.96892 149.0
[M]+ 253.99370 143.6
[M]- 253.99480 143.6
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

patents stripe