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]+ 392.12926 191.2
[M+Na]+ 414.11120 198.9
[M-H]- 390.11470 197.7
[M+NH4]+ 409.15580 205.3
[M+K]+ 430.08514 193.5
[M+H-H2O]+ 374.11924 182.5
[M+HCOO]- 436.12018 210.1
[M+CH3COO]- 450.13583 222.8
[M+Na-2H]- 412.09665 191.7
[M]+ 391.12143 193.0
[M]- 391.12253 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.