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 140.6
[M+Na]+ 276.98347 149.9
[M-H]- 252.98697 148.5
[M+NH4]+ 272.02807 156.2
[M+K]+ 292.95741 142.1
[M+H-H2O]+ 236.99151 137.0
[M+HCOO]- 298.99245 158.8
[M+CH3COO]- 313.00810 190.9
[M+Na-2H]- 274.96892 147.5
[M]+ 253.99370 165.2
[M]- 253.99480 165.2
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