CID 66139

4-phenoxybenzaldehyde

Structural Information

Molecular Formula
C13H10O2
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C=O
InChI
InChI=1S/C13H10O2/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-10H
InChIKey
QWLHJVDRPZNVBS-UHFFFAOYSA-N
Compound name
4-phenoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

2673
Patents

198.06808 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07536 140.3
[M+Na]+ 221.05730 148.6
[M-H]- 197.06080 147.3
[M+NH4]+ 216.10190 159.3
[M+K]+ 237.03124 145.4
[M+H-H2O]+ 181.06534 133.2
[M+HCOO]- 243.06628 165.7
[M+CH3COO]- 257.08193 183.4
[M+Na-2H]- 219.04275 148.3
[M]+ 198.06753 141.6
[M]- 198.06863 141.6
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

patents stripe