CID 23526707

1310680-49-9

Structural Information

Molecular Formula
C18H15F2NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC(C(=O)O)(F)F
InChI
InChI=1S/C18H15F2NO4/c19-18(20,16(22)23)10-21-17(24)25-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,21,24)(H,22,23)
InChIKey
HOZFQTTWTYZFHA-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-difluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

347.09692 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.10420 176.8
[M+Na]+ 370.08614 183.5
[M-H]- 346.08964 178.2
[M+NH4]+ 365.13074 192.6
[M+K]+ 386.06008 179.3
[M+H-H2O]+ 330.09418 169.0
[M+HCOO]- 392.09512 193.6
[M+CH3COO]- 406.11077 211.0
[M+Na-2H]- 368.07159 180.4
[M]+ 347.09637 176.7
[M]- 347.09747 176.7
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

patents stripe