CID 165697716

2228535-88-2

Structural Information

Molecular Formula
C11H9BrO4
SMILES
C1C(=O)CC1(C2=C(C=CC(=C2)Br)O)C(=O)O
InChI
InChI=1S/C11H9BrO4/c12-6-1-2-9(14)8(3-6)11(10(15)16)4-7(13)5-11/h1-3,14H,4-5H2,(H,15,16)
InChIKey
OBCFZKFNAMEIPT-UHFFFAOYSA-N
Compound name
1-(5-bromo-2-hydroxyphenyl)-3-oxocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.9684 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.97568 153.1
[M+Na]+ 306.95762 151.6
[M+NH4]+ 302.00222 154.2
[M+K]+ 322.93156 153.2
[M-H]- 282.96112 150.5
[M+Na-2H]- 304.94307 154.1
[M]+ 283.96785 149.9
[M]- 283.96895 149.9
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

No patent data available for this compound.