CID 83655238

1512074-73-5

Structural Information

Molecular Formula
C11H11BrO2
SMILES
C1C(CC1C(=O)O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C11H11BrO2/c12-10-3-1-2-7(6-10)8-4-9(5-8)11(13)14/h1-3,6,8-9H,4-5H2,(H,13,14)
InChIKey
IZFBCJNREVFPOJ-UHFFFAOYSA-N
Compound name
3-(3-bromophenyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

253.99425 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.00153 139.9
[M+Na]+ 276.98347 149.1
[M-H]- 252.98697 147.6
[M+NH4]+ 272.02807 153.9
[M+K]+ 292.95741 141.3
[M+H-H2O]+ 236.99151 135.2
[M+HCOO]- 298.99245 158.0
[M+CH3COO]- 313.00810 192.3
[M+Na-2H]- 274.96892 145.1
[M]+ 253.99370 164.3
[M]- 253.99480 164.3
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