CID 6510044

1,1,1-trifluoro-2-trifluoromethyl-2-pentan-4-one, phenylhydrazone

Structural Information

Molecular Formula
C12H10F6N2
SMILES
C/C(=N/NC1=CC=CC=C1)/C=C(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C12H10F6N2/c1-8(19-20-9-5-3-2-4-6-9)7-10(11(13,14)15)12(16,17)18/h2-7,20H,1H3/b19-8-
InChIKey
ZCZRIGFRHZINKM-UWVJOHFNSA-N
Compound name
N-[(Z)-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-en-2-ylidene]amino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.07483 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.08211 160.0
[M+Na]+ 319.06405 166.4
[M-H]- 295.06755 156.8
[M+NH4]+ 314.10865 174.9
[M+K]+ 335.03799 162.6
[M+H-H2O]+ 279.07209 148.4
[M+HCOO]- 341.07303 175.8
[M+CH3COO]- 355.08868 207.4
[M+Na-2H]- 317.04950 163.0
[M]+ 296.07428 149.9
[M]- 296.07538 149.9
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.