CID 83681627

3-amino-5-bromo-2-methoxybenzoic acid

Structural Information

Molecular Formula
C8H8BrNO3
SMILES
COC1=C(C=C(C=C1N)Br)C(=O)O
InChI
InChI=1S/C8H8BrNO3/c1-13-7-5(8(11)12)2-4(9)3-6(7)10/h2-3H,10H2,1H3,(H,11,12)
InChIKey
FSUWFQHUJOPMDR-UHFFFAOYSA-N
Compound name
3-amino-5-bromo-2-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

244.96877 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.97605 142.8
[M+Na]+ 267.95799 144.9
[M+NH4]+ 263.00259 146.4
[M+K]+ 283.93193 146.6
[M-H]- 243.96149 142.4
[M+Na-2H]- 265.94344 144.7
[M]+ 244.96822 141.6
[M]- 244.96932 141.6
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