CID 2783401

Methyl 2-amino-5-fluorobenzoate

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

443
Patents

169.05391 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.061186 131.3
[M+Na]+ 192.043128 140.3
[M-H]- 168.046634 134.0
[M+NH4]+ 187.087733 151.7
[M+K]+ 208.017068 138.7
[M+H-H2O]+ 152.051170 124.9
[M+HCOO]- 214.052111 155.3
[M+CH3COO]- 228.067761 180.8
[M+Na-2H]- 190.028576 136.1
[M]+ 169.05336142 130.2
[M]- 169.05445858 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