CID 5383538

4-pentanone, 2-hydroxy-5-phenyl-1,1,1-trifluoro-2-(trifluoromethyl)-, phenylhydrazone

Structural Information

Molecular Formula
C18H16F6N2O
SMILES
C1=CC=C(C=C1)C/C(=N/NC2=CC=CC=C2)/CC(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C18H16F6N2O/c19-17(20,21)16(27,18(22,23)24)12-15(11-13-7-3-1-4-8-13)26-25-14-9-5-2-6-10-14/h1-10,25,27H,11-12H2/b26-15-
InChIKey
OAHPSSAZMQFCQH-YSMPRRRNSA-N
Compound name
(4Z)-1,1,1-trifluoro-5-phenyl-4-(phenylhydrazinylidene)-2-(trifluoromethyl)pentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.11667 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12395 184.5
[M+Na]+ 413.10589 189.4
[M-H]- 389.10939 182.6
[M+NH4]+ 408.15049 194.4
[M+K]+ 429.07983 183.8
[M+H-H2O]+ 373.11393 171.4
[M+HCOO]- 435.11487 197.5
[M+CH3COO]- 449.13052 221.6
[M+Na-2H]- 411.09134 188.9
[M]+ 390.11612 174.6
[M]- 390.11722 174.6
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.