CID 155884396

2-[[(z)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]benzonitrile

Structural Information

Molecular Formula
C17H13F3N2O
SMILES
C/C(=N/OCC1=CC=CC=C1C#N)/C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C17H13F3N2O/c1-12(13-7-4-8-16(9-13)17(18,19)20)22-23-11-15-6-3-2-5-14(15)10-21/h2-9H,11H2,1H3/b22-12-
InChIKey
CXPMTIVZGJJMSD-UUYOSTAYSA-N
Compound name
2-[[(Z)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

318.098 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.10528 173.3
[M+Na]+ 341.08722 182.6
[M-H]- 317.09072 175.8
[M+NH4]+ 336.13182 186.0
[M+K]+ 357.06116 176.9
[M+H-H2O]+ 301.09526 156.3
[M+HCOO]- 363.09620 190.1
[M+CH3COO]- 377.11185 220.2
[M+Na-2H]- 339.07267 175.8
[M]+ 318.09745 166.0
[M]- 318.09855 166.0
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.