CID 118602

Methyl 4-bromo-3,5-dihydroxybenzoate

Structural Information

Molecular Formula
C8H7BrO4
SMILES
COC(=O)C1=CC(=C(C(=C1)O)Br)O
InChI
InChI=1S/C8H7BrO4/c1-13-8(12)4-2-5(10)7(9)6(11)3-4/h2-3,10-11H,1H3
InChIKey
UXSHRKILYILVSD-UHFFFAOYSA-N
Compound name
methyl 4-bromo-3,5-dihydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

245.95277 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.96005 141.6
[M+Na]+ 268.94199 144.2
[M+NH4]+ 263.98659 144.9
[M+K]+ 284.91593 146.1
[M-H]- 244.94549 140.3
[M+Na-2H]- 266.92744 143.3
[M]+ 245.95222 140.2
[M]- 245.95332 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe