CID 46737291

1219145-37-5

Structural Information

Molecular Formula
C19H16F3NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(F)(F)F)C(=O)O
InChI
InChI=1S/C19H16F3NO4/c20-19(21,22)9-16(17(24)25)23-18(26)27-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H,23,26)(H,24,25)
InChIKey
CHNDOSLXDQUFJI-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4,4-trifluorobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

379.10315 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.11043 184.5
[M+Na]+ 402.09237 190.5
[M-H]- 378.09587 184.4
[M+NH4]+ 397.13697 198.9
[M+K]+ 418.06631 186.3
[M+H-H2O]+ 362.10041 175.8
[M+HCOO]- 424.10135 198.9
[M+CH3COO]- 438.11700 216.9
[M+Na-2H]- 400.07782 185.8
[M]+ 379.10260 182.9
[M]- 379.10370 182.9
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