CID 139016618

1,2-dimethyl 4-amino-3-fluorobenzene-1,2-dicarboxylate

Structural Information

Molecular Formula
C10H10FNO4
SMILES
COC(=O)C1=C(C(=C(C=C1)N)F)C(=O)OC
InChI
InChI=1S/C10H10FNO4/c1-15-9(13)5-3-4-6(12)8(11)7(5)10(14)16-2/h3-4H,12H2,1-2H3
InChIKey
ZUZQWQKRVUPOEV-UHFFFAOYSA-N
Compound name
dimethyl 4-amino-3-fluorobenzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.05939 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06667 144.8
[M+Na]+ 250.04861 153.8
[M-H]- 226.05211 147.6
[M+NH4]+ 245.09321 162.9
[M+K]+ 266.02255 152.8
[M+H-H2O]+ 210.05665 137.9
[M+HCOO]- 272.05759 167.7
[M+CH3COO]- 286.07324 191.8
[M+Na-2H]- 248.03406 146.7
[M]+ 227.05884 146.3
[M]- 227.05994 146.3
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.