CID 22492174

42718-21-8

Structural Information

Molecular Formula
C9H10FNO2
SMILES
COC(=O)C(C1=CC(=CC=C1)F)N
InChI
InChI=1S/C9H10FNO2/c1-13-9(12)8(11)6-3-2-4-7(10)5-6/h2-5,8H,11H2,1H3
InChIKey
JMMKTQJIEJUDPW-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(3-fluorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

183.06955 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.076826 136.9
[M+Na]+ 206.058768 144.2
[M-H]- 182.062274 139.0
[M+NH4]+ 201.103373 156.2
[M+K]+ 222.032708 142.9
[M+H-H2O]+ 166.066810 130.1
[M+HCOO]- 228.067751 159.5
[M+CH3COO]- 242.083401 183.5
[M+Na-2H]- 204.044216 140.5
[M]+ 183.06900142 135.1
[M]- 183.07009858 135.1
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