CID 9639081

868630-55-1

Structural Information

Molecular Formula
C16H13F3N2O2
SMILES
C1=CC=C(C=C1)CC(=O)N/N=C/C2=CC=C(C=C2)OC(F)(F)F
InChI
InChI=1S/C16H13F3N2O2/c17-16(18,19)23-14-8-6-13(7-9-14)11-20-21-15(22)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,21,22)/b20-11+
InChIKey
CUMUUNZCUWKTEI-RGVLZGJSSA-N
Compound name
2-phenyl-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.09293 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.10021 170.4
[M+Na]+ 345.08215 176.7
[M-H]- 321.08565 174.1
[M+NH4]+ 340.12675 184.1
[M+K]+ 361.05609 172.6
[M+H-H2O]+ 305.09019 159.2
[M+HCOO]- 367.09113 192.6
[M+CH3COO]- 381.10678 211.3
[M+Na-2H]- 343.06760 175.6
[M]+ 322.09238 167.7
[M]- 322.09348 167.7
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.