CID 718048

40359-59-9

Structural Information

Molecular Formula
C14H11ClO2
SMILES
C1=CC=C(C(=C1)C=O)OCC2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H11ClO2/c15-13-6-3-4-11(8-13)10-17-14-7-2-1-5-12(14)9-16/h1-9H,10H2
InChIKey
MENPASVPECUNNR-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

246.04475 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05203 151.1
[M+Na]+ 269.03397 160.7
[M-H]- 245.03747 158.1
[M+NH4]+ 264.07857 169.4
[M+K]+ 285.00791 155.5
[M+H-H2O]+ 229.04201 144.7
[M+HCOO]- 291.04295 171.6
[M+CH3COO]- 305.05860 191.3
[M+Na-2H]- 267.01942 157.3
[M]+ 246.04420 155.4
[M]- 246.04530 155.4
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