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]+ 247.05203 150.6
[M+Na]+ 269.03397 161.1
[M-H]- 245.03747 157.9
[M+NH4]+ 264.07857 169.2
[M+K]+ 285.00791 156.0
[M+H-H2O]+ 229.04201 144.4
[M+HCOO]- 291.04295 171.1
[M+CH3COO]- 305.05860 192.4
[M+Na-2H]- 267.01942 156.1
[M]+ 246.04420 155.2
[M]- 246.04530 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.