CID 62378772

2-amino-3-bromo-6-methoxybenzoic acid

Structural Information

Molecular Formula
C8H8BrNO3
SMILES
COC1=C(C(=C(C=C1)Br)N)C(=O)O
InChI
InChI=1S/C8H8BrNO3/c1-13-5-3-2-4(9)7(10)6(5)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChIKey
VRNHYOUHVGOECL-UHFFFAOYSA-N
Compound name
2-amino-3-bromo-6-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

244.96877 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.97605 141.9
[M+Na]+ 267.95799 153.6
[M-H]- 243.96149 147.0
[M+NH4]+ 263.00259 161.9
[M+K]+ 283.93193 142.7
[M+H-H2O]+ 227.96603 141.4
[M+HCOO]- 289.96697 162.7
[M+CH3COO]- 303.98262 189.7
[M+Na-2H]- 265.94344 146.8
[M]+ 244.96822 160.2
[M]- 244.96932 160.2
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