CID 18663602

2-chloro-6-phenoxybenzaldehyde

Structural Information

Molecular Formula
C13H9ClO2
SMILES
C1=CC=C(C=C1)OC2=C(C(=CC=C2)Cl)C=O
InChI
InChI=1S/C13H9ClO2/c14-12-7-4-8-13(11(12)9-15)16-10-5-2-1-3-6-10/h1-9H
InChIKey
WCNLFBTYIWVHHA-UHFFFAOYSA-N
Compound name
2-chloro-6-phenoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

232.02911 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.03639 146.4
[M+Na]+ 255.01833 156.4
[M-H]- 231.02183 153.5
[M+NH4]+ 250.06293 165.3
[M+K]+ 270.99227 151.5
[M+H-H2O]+ 215.02637 140.2
[M+HCOO]- 277.02731 167.2
[M+CH3COO]- 291.04296 188.3
[M+Na-2H]- 253.00378 153.2
[M]+ 232.02856 150.3
[M]- 232.02966 150.3
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