CID 103663856

1693604-36-2

Structural Information

Molecular Formula
C23H17F2NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(C4=C(C=CC=C4F)F)C(=O)O
InChI
InChI=1S/C23H17F2NO4/c24-18-10-5-11-19(25)20(18)21(22(27)28)26-23(29)30-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-11,17,21H,12H2,(H,26,29)(H,27,28)
InChIKey
DBMFFZYWHYFRLO-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.11258 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.11986 193.9
[M+Na]+ 432.10180 200.4
[M-H]- 408.10530 198.6
[M+NH4]+ 427.14640 206.8
[M+K]+ 448.07574 195.1
[M+H-H2O]+ 392.10984 184.2
[M+HCOO]- 454.11078 210.7
[M+CH3COO]- 468.12643 225.0
[M+Na-2H]- 430.08725 193.4
[M]+ 409.11203 193.6
[M]- 409.11313 193.6
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.