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]+ 319.105276 173.3
[M+Na]+ 341.087218 182.6
[M-H]- 317.090724 175.8
[M+NH4]+ 336.131823 186.0
[M+K]+ 357.061158 176.9
[M+H-H2O]+ 301.095260 156.3
[M+HCOO]- 363.096201 190.1
[M+CH3COO]- 377.111851 220.2
[M+Na-2H]- 339.072666 175.8
[M]+ 318.09745142 166.0
[M]- 318.09854858 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.