CID 13983552

Methyl 4-bromo-2-hydroxybenzoate

Structural Information

Molecular Formula
C8H7BrO3
SMILES
COC(=O)C1=C(C=C(C=C1)Br)O
InChI
InChI=1S/C8H7BrO3/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,10H,1H3
InChIKey
JEMVEVUWSJXZMX-UHFFFAOYSA-N
Compound name
methyl 4-bromo-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

621
Patents

229.95786 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.96514 137.7
[M+Na]+ 252.94708 149.8
[M-H]- 228.95058 143.3
[M+NH4]+ 247.99168 158.9
[M+K]+ 268.92102 139.5
[M+H-H2O]+ 212.95512 138.1
[M+HCOO]- 274.95606 158.4
[M+CH3COO]- 288.97171 183.8
[M+Na-2H]- 250.93253 144.3
[M]+ 229.95731 157.4
[M]- 229.95841 157.4
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