CID 9578698

Brn 0444737

Structural Information

Molecular Formula
C16H12ClF3N2O2
SMILES
C/C(=N\OC(=O)C1=C(N=CC=C1)Cl)/CC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C16H12ClF3N2O2/c1-10(8-11-4-2-5-12(9-11)16(18,19)20)22-24-15(23)13-6-3-7-21-14(13)17/h2-7,9H,8H2,1H3/b22-10+
InChIKey
RWKKSSGKDOXXKB-LSHDLFTRSA-N
Compound name
[(E)-1-[3-(trifluoromethyl)phenyl]propan-2-ylideneamino] 2-chloropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.05392 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.06120 176.0
[M+Na]+ 379.04314 186.1
[M+NH4]+ 374.08774 180.4
[M+K]+ 395.01708 180.3
[M-H]- 355.04664 174.5
[M+Na-2H]- 377.02859 181.7
[M]+ 356.05337 177.0
[M]- 356.05447 177.0
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.