CID 64147111

1404637-74-6

Structural Information

Molecular Formula
C14H17F2NO4
SMILES
CC(C)(C)OC(=O)N(C)C(C1=C(C=CC(=C1)F)F)C(=O)O
InChI
InChI=1S/C14H17F2NO4/c1-14(2,3)21-13(20)17(4)11(12(18)19)9-7-8(15)5-6-10(9)16/h5-7,11H,1-4H3,(H,18,19)
InChIKey
FKBQZXYWGWXPOK-UHFFFAOYSA-N
Compound name
2-(2,5-difluorophenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.11258 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.11986 164.6
[M+Na]+ 324.10180 170.9
[M-H]- 300.10530 165.9
[M+NH4]+ 319.14640 179.5
[M+K]+ 340.07574 170.6
[M+H-H2O]+ 284.10984 156.8
[M+HCOO]- 346.11078 182.2
[M+CH3COO]- 360.12643 207.5
[M+Na-2H]- 322.08725 164.2
[M]+ 301.11203 165.2
[M]- 301.11313 165.2
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

No patent data available for this compound.