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]+ 306.99645 159.1
[M+Na]+ 328.97839 170.4
[M-H]- 304.98189 167.5
[M+NH4]+ 324.02299 177.2
[M+K]+ 344.95233 159.1
[M+H-H2O]+ 288.98643 158.4
[M+HCOO]- 350.98737 179.2
[M+CH3COO]- 365.00302 197.9
[M+Na-2H]- 326.96384 164.2
[M]+ 305.98862 178.9
[M]- 305.98972 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.