CID 64146855

1276112-08-3

Structural Information

Molecular Formula
C14H18FNO4
SMILES
CC(C)(C)OC(=O)N(C)C(C1=CC=C(C=C1)F)C(=O)O
InChI
InChI=1S/C14H18FNO4/c1-14(2,3)20-13(19)16(4)11(12(17)18)9-5-7-10(15)8-6-9/h5-8,11H,1-4H3,(H,17,18)
InChIKey
LFMFIQJMXYDNIC-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

283.12198 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12926 162.6
[M+Na]+ 306.11120 167.9
[M-H]- 282.11470 164.9
[M+NH4]+ 301.15580 178.1
[M+K]+ 322.08514 168.0
[M+H-H2O]+ 266.11924 155.5
[M+HCOO]- 328.12018 181.3
[M+CH3COO]- 342.13583 203.5
[M+Na-2H]- 304.09665 163.4
[M]+ 283.12143 164.0
[M]- 283.12253 164.0
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