CID 19069422

3-methyl-4-phenoxybenzaldehyde

Structural Information

Molecular Formula
C14H12O2
SMILES
CC1=C(C=CC(=C1)C=O)OC2=CC=CC=C2
InChI
InChI=1S/C14H12O2/c1-11-9-12(10-15)7-8-14(11)16-13-5-3-2-4-6-13/h2-10H,1H3
InChIKey
KDBKPCXRRZVODH-UHFFFAOYSA-N
Compound name
3-methyl-4-phenoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

212.08372 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.090996 144.5
[M+Na]+ 235.072938 153.3
[M-H]- 211.076444 151.7
[M+NH4]+ 230.117543 163.3
[M+K]+ 251.046878 149.9
[M+H-H2O]+ 195.080980 137.4
[M+HCOO]- 257.081921 169.6
[M+CH3COO]- 271.097571 187.5
[M+Na-2H]- 233.058386 151.2
[M]+ 212.08317142 146.5
[M]- 212.08426858 146.5
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