CID 89876245

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

Structural Information

Molecular Formula
C9H10FNO2
SMILES
CC1=C(C=CC(=C1C(=O)OC)N)F
InChI
InChI=1S/C9H10FNO2/c1-5-6(10)3-4-7(11)8(5)9(12)13-2/h3-4H,11H2,1-2H3
InChIKey
FNNFNIJPXIQGMA-UHFFFAOYSA-N
Compound name
methyl 6-amino-3-fluoro-2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

183.06955 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07683 135.5
[M+Na]+ 206.05877 145.0
[M-H]- 182.06227 138.4
[M+NH4]+ 201.10337 155.6
[M+K]+ 222.03271 143.2
[M+H-H2O]+ 166.06681 129.2
[M+HCOO]- 228.06775 159.1
[M+CH3COO]- 242.08340 185.1
[M+Na-2H]- 204.04422 139.0
[M]+ 183.06900 135.2
[M]- 183.07010 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