CID 273754

2344-29-8

Structural Information

Molecular Formula
C14H9ClF3NO
SMILES
C1=CC=C(C(=C1)C=NC2=C(C=CC(=C2)C(F)(F)F)Cl)O
InChI
InChI=1S/C14H9ClF3NO/c15-11-6-5-10(14(16,17)18)7-12(11)19-8-9-3-1-2-4-13(9)20/h1-8,20H
InChIKey
MSGXOCFNGVTWKL-UHFFFAOYSA-N
Compound name
2-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.03247 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.03975 161.2
[M+Na]+ 322.02169 171.7
[M-H]- 298.02519 164.6
[M+NH4]+ 317.06629 177.4
[M+K]+ 337.99563 164.9
[M+H-H2O]+ 282.02973 152.3
[M+HCOO]- 344.03067 177.7
[M+CH3COO]- 358.04632 202.4
[M+Na-2H]- 320.00714 165.9
[M]+ 299.03192 159.9
[M]- 299.03302 159.9
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.