CID 130064424

Methyl 4-amino-2-bromo-6-methoxybenzoate

Structural Information

Molecular Formula
C9H10BrNO3
SMILES
COC1=C(C(=CC(=C1)N)Br)C(=O)OC
InChI
InChI=1S/C9H10BrNO3/c1-13-7-4-5(11)3-6(10)8(7)9(12)14-2/h3-4H,11H2,1-2H3
InChIKey
RDBZKGHXDMHZSV-UHFFFAOYSA-N
Compound name
methyl 4-amino-2-bromo-6-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.9844 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.99168 145.8
[M+Na]+ 281.97362 157.6
[M-H]- 257.97712 152.1
[M+NH4]+ 277.01822 166.1
[M+K]+ 297.94756 147.4
[M+H-H2O]+ 241.98166 144.9
[M+HCOO]- 303.98260 167.7
[M+CH3COO]- 317.99825 194.2
[M+Na-2H]- 279.95907 150.7
[M]+ 258.98385 166.1
[M]- 258.98495 166.1
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.