CID 121604624

1922779-63-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.09805 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.10533 184.3
[M+Na]+ 418.08727 188.9
[M+NH4]+ 413.13187 186.9
[M+K]+ 434.06121 188.4
[M-H]- 394.09077 179.0
[M+Na-2H]- 416.07272 183.5
[M]+ 395.09750 182.7
[M]- 395.09860 182.7
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.