CID 51889115

Methyl 2-amino-3-fluoro-6-methylbenzoate

Structural Information

Molecular Formula
C9H10FNO2
SMILES
CC1=C(C(=C(C=C1)F)N)C(=O)OC
InChI
InChI=1S/C9H10FNO2/c1-5-3-4-6(10)8(11)7(5)9(12)13-2/h3-4H,11H2,1-2H3
InChIKey
DTDYEYUKTBXHOC-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-fluoro-6-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

183.06955 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.076826 135.5
[M+Na]+ 206.058768 145.0
[M-H]- 182.062274 138.4
[M+NH4]+ 201.103373 155.6
[M+K]+ 222.032708 143.2
[M+H-H2O]+ 166.066810 129.2
[M+HCOO]- 228.067751 159.1
[M+CH3COO]- 242.083401 185.1
[M+Na-2H]- 204.044216 139.0
[M]+ 183.06900142 135.2
[M]- 183.07009858 135.2
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

patents stripe