CID 735484

3-[(2,6-dichlorobenzyl)oxy]benzaldehyde

Structural Information

Molecular Formula
C14H10Cl2O2
SMILES
C1=CC(=CC(=C1)OCC2=C(C=CC=C2Cl)Cl)C=O
InChI
InChI=1S/C14H10Cl2O2/c15-13-5-2-6-14(16)12(13)9-18-11-4-1-3-10(7-11)8-17/h1-8H,9H2
InChIKey
BOBBJQABUQGRJP-UHFFFAOYSA-N
Compound name
3-[(2,6-dichlorophenyl)methoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

280.0058 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.01308 156.7
[M+Na]+ 302.99502 167.6
[M-H]- 278.99852 163.2
[M+NH4]+ 298.03962 174.4
[M+K]+ 318.96896 161.2
[M+H-H2O]+ 263.00306 151.1
[M+HCOO]- 325.00400 172.0
[M+CH3COO]- 339.01965 196.9
[M+Na-2H]- 300.98047 161.4
[M]+ 280.00525 162.6
[M]- 280.00635 162.6
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