CID 63091433

Methyl 4-fluoro-3-(methylamino)benzoate

Structural Information

Molecular Formula
C9H10FNO2
SMILES
CNC1=C(C=CC(=C1)C(=O)OC)F
InChI
InChI=1S/C9H10FNO2/c1-11-8-5-6(9(12)13-2)3-4-7(8)10/h3-5,11H,1-2H3
InChIKey
NLVYGGDTWSDVKA-UHFFFAOYSA-N
Compound name
methyl 4-fluoro-3-(methylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.06955 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.076826 135.4
[M+Na]+ 206.058768 143.9
[M-H]- 182.062274 138.4
[M+NH4]+ 201.103373 155.4
[M+K]+ 222.032708 142.5
[M+H-H2O]+ 166.066810 128.7
[M+HCOO]- 228.067751 159.6
[M+CH3COO]- 242.083401 184.5
[M+Na-2H]- 204.044216 140.7
[M]+ 183.06900142 135.7
[M]- 183.07009858 135.7
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.