CID 64231061

1-(3-bromophenyl)-3-methylcyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C12H13BrO2
SMILES
CC1CC(C1)(C2=CC(=CC=C2)Br)C(=O)O
InChI
InChI=1S/C12H13BrO2/c1-8-6-12(7-8,11(14)15)9-3-2-4-10(13)5-9/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKey
ZDZNPBOPEXUSAU-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)-3-methylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

268.0099 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.01718 150.1
[M+Na]+ 290.99912 149.4
[M+NH4]+ 286.04372 152.6
[M+K]+ 306.97306 149.8
[M-H]- 267.00262 149.0
[M+Na-2H]- 288.98457 152.6
[M]+ 268.00935 147.7
[M]- 268.01045 147.7
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