CID 44140113

Methyl 3-bromo-2-hydroxy-5-phenylbenzoate

Structural Information

Molecular Formula
C14H11BrO3
SMILES
COC(=O)C1=C(C(=CC(=C1)C2=CC=CC=C2)Br)O
InChI
InChI=1S/C14H11BrO3/c1-18-14(17)11-7-10(8-12(15)13(11)16)9-5-3-2-4-6-9/h2-8,16H,1H3
InChIKey
NVEYPUXDUGVYHA-UHFFFAOYSA-N
Compound name
methyl 3-bromo-2-hydroxy-5-phenylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.98917 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.996446 159.1
[M+Na]+ 328.978388 170.4
[M-H]- 304.981894 167.5
[M+NH4]+ 324.022993 177.2
[M+K]+ 344.952328 159.1
[M+H-H2O]+ 288.986430 158.4
[M+HCOO]- 350.987371 179.2
[M+CH3COO]- 365.003021 197.9
[M+Na-2H]- 326.963836 164.2
[M]+ 305.98862142 178.9
[M]- 305.98971858 178.9
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.