CID 154577687

Methyl 4-amino-3-fluoro-2-methoxy-5-nitrobenzoate

Structural Information

Molecular Formula
C9H9FN2O5
SMILES
COC1=C(C(=C(C=C1C(=O)OC)[N+](=O)[O-])N)F
InChI
InChI=1S/C9H9FN2O5/c1-16-8-4(9(13)17-2)3-5(12(14)15)7(11)6(8)10/h3H,11H2,1-2H3
InChIKey
AWGYXGMYEBBZKI-UHFFFAOYSA-N
Compound name
methyl 4-amino-3-fluoro-2-methoxy-5-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.04955 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05683 145.9
[M+Na]+ 267.03877 154.6
[M-H]- 243.04227 148.8
[M+NH4]+ 262.08337 162.4
[M+K]+ 283.01271 149.6
[M+H-H2O]+ 227.04681 143.5
[M+HCOO]- 289.04775 170.7
[M+CH3COO]- 303.06340 189.4
[M+Na-2H]- 265.02422 150.2
[M]+ 244.04900 146.0
[M]- 244.05010 146.0
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.