CID 58216595

1-(4-bromophenyl)-3-hydroxycyclobutanecarboxylic acid

Structural Information

Molecular Formula
C11H11BrO3
SMILES
C1C(CC1(C2=CC=C(C=C2)Br)C(=O)O)O
InChI
InChI=1S/C11H11BrO3/c12-8-3-1-7(2-4-8)11(10(14)15)5-9(13)6-11/h1-4,9,13H,5-6H2,(H,14,15)
InChIKey
DIFJFJOUEOLYGY-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-hydroxycyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

269.98917 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.99645 144.2
[M+Na]+ 292.97839 153.5
[M-H]- 268.98189 151.0
[M+NH4]+ 288.02299 158.6
[M+K]+ 308.95233 145.5
[M+H-H2O]+ 252.98643 140.5
[M+HCOO]- 314.98737 161.0
[M+CH3COO]- 329.00302 191.5
[M+Na-2H]- 290.96384 149.9
[M]+ 269.98862 168.7
[M]- 269.98972 168.7
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