CID 59191751

Methyl 5-amino-2-bromo-4-fluorobenzoate

Structural Information

Molecular Formula
C8H7BrFNO2
SMILES
COC(=O)C1=CC(=C(C=C1Br)F)N
InChI
InChI=1S/C8H7BrFNO2/c1-13-8(12)4-2-7(11)6(10)3-5(4)9/h2-3H,11H2,1H3
InChIKey
QMTDDCURRBENGD-UHFFFAOYSA-N
Compound name
methyl 5-amino-2-bromo-4-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

246.96442 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.97170 144.7
[M+Na]+ 269.95364 146.9
[M+NH4]+ 264.99824 148.4
[M+K]+ 285.92758 147.8
[M-H]- 245.95714 143.9
[M+Na-2H]- 267.93909 146.7
[M]+ 246.96387 143.4
[M]- 246.96497 143.4
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