CID 165895735

3-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-6-fluoro-2-methylbenzoic acid

Structural Information

Molecular Formula
C23H18FNO4
SMILES
CC1=C(C=CC(=C1C(=O)O)F)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H18FNO4/c1-13-20(11-10-19(24)21(13)22(26)27)25-23(28)29-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-11,18H,12H2,1H3,(H,25,28)(H,26,27)
InChIKey
AYBBSLKCMZVGLC-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluoro-2-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.12198 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.129256 191.2
[M+Na]+ 414.111198 198.9
[M-H]- 390.114704 197.7
[M+NH4]+ 409.155803 205.3
[M+K]+ 430.085138 193.5
[M+H-H2O]+ 374.119240 182.5
[M+HCOO]- 436.120181 210.1
[M+CH3COO]- 450.135831 222.8
[M+Na-2H]- 412.096646 191.7
[M]+ 391.12143142 193.0
[M]- 391.12252858 193.0
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

No patent data available for this compound.