CID 84076177

Methyl 3-amino-6-chloro-2-fluorobenzoate

Structural Information

Molecular Formula
C8H7ClFNO2
SMILES
COC(=O)C1=C(C=CC(=C1F)N)Cl
InChI
InChI=1S/C8H7ClFNO2/c1-13-8(12)6-4(9)2-3-5(11)7(6)10/h2-3H,11H2,1H3
InChIKey
KTOYABBZOAPFBS-UHFFFAOYSA-N
Compound name
methyl 3-amino-6-chloro-2-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.01494 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.02222 136.6
[M+Na]+ 226.00416 148.8
[M+NH4]+ 221.04876 144.2
[M+K]+ 241.97810 143.3
[M-H]- 202.00766 137.2
[M+Na-2H]- 223.98961 142.1
[M]+ 203.01439 138.5
[M]- 203.01549 138.5
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.