CID 673669

2-[(4-chloro-3-methylphenoxy)methyl]-4-methoxybenzaldehyde

Structural Information

Molecular Formula
C16H15ClO3
SMILES
CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)OC)C=O)Cl
InChI
InChI=1S/C16H15ClO3/c1-11-7-15(5-6-16(11)17)20-10-13-8-14(19-2)4-3-12(13)9-18/h3-9H,10H2,1-2H3
InChIKey
BKXHVDMJIUXEOJ-UHFFFAOYSA-N
Compound name
2-[(4-chloro-3-methylphenoxy)methyl]-4-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.07098 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07826 162.6
[M+Na]+ 313.06020 173.0
[M-H]- 289.06370 169.9
[M+NH4]+ 308.10480 179.6
[M+K]+ 329.03414 168.1
[M+H-H2O]+ 273.06824 155.9
[M+HCOO]- 335.06918 182.6
[M+CH3COO]- 349.08483 201.6
[M+Na-2H]- 311.04565 166.3
[M]+ 290.07043 169.8
[M]- 290.07153 169.8
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

No patent data available for this compound.