CID 16728110

4-quinolinecarboxaldehyde, 2,8-bis(trifluoromethyl)-, methylhydrazone

Structural Information

Molecular Formula
C13H9F6N3
SMILES
CN/N=C/C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C13H9F6N3/c1-20-21-6-7-5-10(13(17,18)19)22-11-8(7)3-2-4-9(11)12(14,15)16/h2-6,20H,1H3/b21-6+
InChIKey
XJWOSWDTBMRFAO-AERZKKPOSA-N
Compound name
N-[(E)-[2,8-bis(trifluoromethyl)quinolin-4-yl]methylideneamino]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.07007 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.07735 167.6
[M+Na]+ 344.05929 178.0
[M-H]- 320.06279 164.9
[M+NH4]+ 339.10389 182.1
[M+K]+ 360.03323 172.4
[M+H-H2O]+ 304.06733 155.2
[M+HCOO]- 366.06827 183.3
[M+CH3COO]- 380.08392 213.9
[M+Na-2H]- 342.04474 173.6
[M]+ 321.06952 160.6
[M]- 321.07062 160.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.