CID 641191

92175-89-8

Structural Information

Molecular Formula
C15H9F6NO
SMILES
C1=CC=C(C(=C1)C=NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O
InChI
InChI=1S/C15H9F6NO/c16-14(17,18)10-5-11(15(19,20)21)7-12(6-10)22-8-9-3-1-2-4-13(9)23/h1-8,23H
InChIKey
MQODJDYFSNBBDJ-UHFFFAOYSA-N
Compound name
2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.05884 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.06612 169.5
[M+Na]+ 356.04806 179.3
[M-H]- 332.05156 169.1
[M+NH4]+ 351.09266 183.1
[M+K]+ 372.02200 173.3
[M+H-H2O]+ 316.05610 157.3
[M+HCOO]- 378.05704 185.1
[M+CH3COO]- 392.07269 210.0
[M+Na-2H]- 354.03351 172.9
[M]+ 333.05829 161.7
[M]- 333.05939 161.7
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.