CID 65657749

2-(5-chloro-2-methylphenoxy)benzaldehyde

Structural Information

Molecular Formula
C14H11ClO2
SMILES
CC1=C(C=C(C=C1)Cl)OC2=CC=CC=C2C=O
InChI
InChI=1S/C14H11ClO2/c1-10-6-7-12(15)8-14(10)17-13-5-3-2-4-11(13)9-16/h2-9H,1H3
InChIKey
VAZSXXUSYOETOQ-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-methylphenoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.04475 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.052026 150.6
[M+Na]+ 269.033968 161.1
[M-H]- 245.037474 157.9
[M+NH4]+ 264.078573 169.2
[M+K]+ 285.007908 156.0
[M+H-H2O]+ 229.042010 144.4
[M+HCOO]- 291.042951 171.1
[M+CH3COO]- 305.058601 192.4
[M+Na-2H]- 267.019416 156.1
[M]+ 246.04420142 155.2
[M]- 246.04529858 155.2
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.