CID 103664277

2-(2,5-difluorophenyl)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)acetic acid

Structural Information

Molecular Formula
C24H19F2NO4
SMILES
CN(C(C1=C(C=CC(=C1)F)F)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H19F2NO4/c1-27(22(23(28)29)19-12-14(25)10-11-21(19)26)24(30)31-13-20-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20/h2-12,20,22H,13H2,1H3,(H,28,29)
InChIKey
RKOJNUUKSQMWAK-UHFFFAOYSA-N
Compound name
2-(2,5-difluorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.1282 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.13548 199.1
[M+Na]+ 446.11742 205.2
[M-H]- 422.12092 205.0
[M+NH4]+ 441.16202 211.9
[M+K]+ 462.09136 201.0
[M+H-H2O]+ 406.12546 189.0
[M+HCOO]- 468.12640 215.9
[M+CH3COO]- 482.14205 231.0
[M+Na-2H]- 444.10287 197.2
[M]+ 423.12765 200.2
[M]- 423.12875 200.2
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.