CID 9555923

Nsc655510

Structural Information

Molecular Formula
C15H12F3N3O
SMILES
CO/C(=N\N=C\C1=CC=C(C=C1)C(F)(F)F)/C2=CC=NC=C2
InChI
InChI=1S/C15H12F3N3O/c1-22-14(12-6-8-19-9-7-12)21-20-10-11-2-4-13(5-3-11)15(16,17)18/h2-10H,1H3/b20-10+,21-14-
InChIKey
VPTSOWHPWQWQPH-XAMHROORSA-N
Compound name
methyl (NE,4Z)-N-[[4-(trifluoromethyl)phenyl]methylidene]pyridine-4-carbohydrazonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.09326 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.10054 167.5
[M+Na]+ 330.08248 174.9
[M-H]- 306.08598 171.5
[M+NH4]+ 325.12708 181.4
[M+K]+ 346.05642 171.0
[M+H-H2O]+ 290.09052 155.4
[M+HCOO]- 352.09146 190.0
[M+CH3COO]- 366.10711 210.7
[M+Na-2H]- 328.06793 173.7
[M]+ 307.09271 165.3
[M]- 307.09381 165.3
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.