CID 45496514

195070-57-6

Structural Information

Molecular Formula
C9H10FNO2
SMILES
COC(=O)C(C1=CC=CC=C1F)N
InChI
InChI=1S/C9H10FNO2/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5,8H,11H2,1H3
InChIKey
NNBTVDCABPEXGX-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(2-fluorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

183.06955 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07683 136.9
[M+Na]+ 206.05877 144.2
[M-H]- 182.06227 139.0
[M+NH4]+ 201.10337 156.2
[M+K]+ 222.03271 142.9
[M+H-H2O]+ 166.06681 130.1
[M+HCOO]- 228.06775 159.5
[M+CH3COO]- 242.08340 183.5
[M+Na-2H]- 204.04422 140.5
[M]+ 183.06900 135.1
[M]- 183.07010 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

literature stripe

Patent stripe

patents stripe