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 186.9
[M+Na]+ 418.08727 192.6
[M-H]- 394.09077 186.6
[M+NH4]+ 413.13187 200.4
[M+K]+ 434.06121 189.1
[M+H-H2O]+ 378.09531 177.9
[M+HCOO]- 440.09625 201.3
[M+CH3COO]- 454.11190 219.1
[M+Na-2H]- 416.07272 188.4
[M]+ 395.09750 186.7
[M]- 395.09860 186.7
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

No patent data available for this compound.