CID 165889196

2580190-49-2

Structural Information

Molecular Formula
C22H15F2NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC(=C(C(=C4)F)F)C(=O)O
InChI
InChI=1S/C22H15F2NO4/c23-19-10-12(9-17(20(19)24)21(26)27)25-22(28)29-11-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-10,18H,11H2,(H,25,28)(H,26,27)
InChIKey
BHYJSTYUIRAGBO-UHFFFAOYSA-N
Compound name
5-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-difluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.09692 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.10420 189.6
[M+Na]+ 418.08614 197.9
[M-H]- 394.08964 194.8
[M+NH4]+ 413.13074 203.5
[M+K]+ 434.06008 192.1
[M+H-H2O]+ 378.09418 180.0
[M+HCOO]- 440.09512 207.7
[M+CH3COO]- 454.11077 222.5
[M+Na-2H]- 416.07159 190.0
[M]+ 395.09637 190.0
[M]- 395.09747 190.0
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.