CID 11182865

Methyl 4-amino-3-fluorobenzoate

Structural Information

Molecular Formula
C8H8FNO2
SMILES
COC(=O)C1=CC(=C(C=C1)N)F
InChI
InChI=1S/C8H8FNO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,10H2,1H3
InChIKey
DOMJYWCXCVFKCA-UHFFFAOYSA-N
Compound name
methyl 4-amino-3-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

597
Patents

169.05391 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06119 131.3
[M+Na]+ 192.04313 140.3
[M-H]- 168.04663 134.0
[M+NH4]+ 187.08773 151.7
[M+K]+ 208.01707 138.7
[M+H-H2O]+ 152.05117 124.9
[M+HCOO]- 214.05211 155.3
[M+CH3COO]- 228.06776 180.8
[M+Na-2H]- 190.02858 136.1
[M]+ 169.05336 130.2
[M]- 169.05446 130.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe