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 186.2
[M+Na]+ 418.08727 191.1
[M-H]- 394.09077 184.7
[M+NH4]+ 413.13187 198.9
[M+K]+ 434.06121 187.7
[M+H-H2O]+ 378.09531 177.8
[M+HCOO]- 440.09625 198.2
[M+CH3COO]- 454.11190 217.8
[M+Na-2H]- 416.07272 186.3
[M]+ 395.09750 183.6
[M]- 395.09860 183.6
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.