CID 11437710

146653-56-7

Structural Information

Molecular Formula
C16H10F3NO
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(=O)CC2=CC=C(C=C2)C#N
InChI
InChI=1S/C16H10F3NO/c17-16(18,19)14-3-1-2-13(9-14)15(21)8-11-4-6-12(10-20)7-5-11/h1-7,9H,8H2
InChIKey
CMHGFDOROXXOOB-UHFFFAOYSA-N
Compound name
4-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

289.07144 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.07872 165.1
[M+Na]+ 312.06066 175.3
[M-H]- 288.06416 166.8
[M+NH4]+ 307.10526 178.6
[M+K]+ 328.03460 168.9
[M+H-H2O]+ 272.06870 149.1
[M+HCOO]- 334.06964 180.1
[M+CH3COO]- 348.08529 211.5
[M+Na-2H]- 310.04611 167.5
[M]+ 289.07089 156.6
[M]- 289.07199 156.6
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

patents stripe