CID 819961

3-chloro-5-ethoxy-4-isopropoxybenzaldehyde

Structural Information

Molecular Formula
C12H15ClO3
SMILES
CCOC1=C(C(=CC(=C1)C=O)Cl)OC(C)C
InChI
InChI=1S/C12H15ClO3/c1-4-15-11-6-9(7-14)5-10(13)12(11)16-8(2)3/h5-8H,4H2,1-3H3
InChIKey
VSFQXMHWZURYIP-UHFFFAOYSA-N
Compound name
3-chloro-5-ethoxy-4-propan-2-yloxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

242.07097 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07825 150.2
[M+Na]+ 265.06019 163.9
[M+NH4]+ 260.10479 158.2
[M+K]+ 281.03413 157.2
[M-H]- 241.06369 151.8
[M+Na-2H]- 263.04564 156.0
[M]+ 242.07042 152.9
[M]- 242.07152 152.9
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

No patent data available for this compound.