CID 2760720

398156-35-9

Structural Information

Molecular Formula
C14H9F3O2
SMILES
C1=CC(=CC=C1C=O)C2=CC=C(C=C2)OC(F)(F)F
InChI
InChI=1S/C14H9F3O2/c15-14(16,17)19-13-7-5-12(6-8-13)11-3-1-10(9-18)2-4-11/h1-9H
InChIKey
RGOCXZBOSHHAIQ-UHFFFAOYSA-N
Compound name
4-[4-(trifluoromethoxy)phenyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

266.05545 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06273 154.4
[M+Na]+ 289.04467 163.8
[M-H]- 265.04817 157.6
[M+NH4]+ 284.08927 170.9
[M+K]+ 305.01861 159.5
[M+H-H2O]+ 249.05271 144.7
[M+HCOO]- 311.05365 174.6
[M+CH3COO]- 325.06930 195.4
[M+Na-2H]- 287.03012 159.8
[M]+ 266.05490 152.4
[M]- 266.05600 152.4
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