CID 6510041

6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-2-cyclohexen-1-one hydrazone

Structural Information

Molecular Formula
C12H16F6N2O
SMILES
CC1=C/C(=N/N)/C(C(C1)(C)C)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C12H16F6N2O/c1-6-4-7(20-19)8(9(2,3)5-6)10(21,11(13,14)15)12(16,17)18/h4,8,21H,5,19H2,1-3H3/b20-7-
InChIKey
GGMWAESOMYUQQL-SCDVKCJHSA-N
Compound name
1,1,1,3,3,3-hexafluoro-2-[(2Z)-2-hydrazinylidene-4,6,6-trimethylcyclohex-3-en-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.11667 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.12395 165.6
[M+Na]+ 341.10589 173.7
[M-H]- 317.10939 161.3
[M+NH4]+ 336.15049 181.6
[M+K]+ 357.07983 170.4
[M+H-H2O]+ 301.11393 156.7
[M+HCOO]- 363.11487 176.7
[M+CH3COO]- 377.13052 210.7
[M+Na-2H]- 339.09134 168.3
[M]+ 318.11612 153.9
[M]- 318.11722 153.9
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

No patent data available for this compound.