CID 145710916

2550997-61-8

Structural Information

Molecular Formula
C19H16F3NO5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](COC(F)(F)F)C(=O)O
InChI
InChI=1S/C19H16F3NO5/c20-19(21,22)28-10-16(17(24)25)23-18(26)27-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H,23,26)(H,24,25)/t16-/m0/s1
InChIKey
WSABBUZWNWRSNR-INIZCTEOSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(trifluoromethoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.09805 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.10533 185.4
[M+Na]+ 418.08727 190.8
[M+NH4]+ 413.13187 188.4
[M+K]+ 434.06121 189.2
[M-H]- 394.09077 180.7
[M+Na-2H]- 416.07272 185.4
[M]+ 395.09750 184.2
[M]- 395.09860 184.2
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.