CID 88060

2-phenoxybenzaldehyde

Structural Information

Molecular Formula
C13H10O2
SMILES
C1=CC=C(C=C1)OC2=CC=CC=C2C=O
InChI
InChI=1S/C13H10O2/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-10H
InChIKey
IMPIIVKYTNMBCD-UHFFFAOYSA-N
Compound name
2-phenoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

1303
Patents

198.06808 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.075356 140.3
[M+Na]+ 221.057298 148.6
[M-H]- 197.060804 147.3
[M+NH4]+ 216.101903 159.3
[M+K]+ 237.031238 145.4
[M+H-H2O]+ 181.065340 133.2
[M+HCOO]- 243.066281 165.7
[M+CH3COO]- 257.081931 183.4
[M+Na-2H]- 219.042746 148.3
[M]+ 198.06753142 141.6
[M]- 198.06862858 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