CID 883330

3-chloro-4-isopropoxy-5-methoxybenzaldehyde

Structural Information

Molecular Formula
C11H13ClO3
SMILES
CC(C)OC1=C(C=C(C=C1Cl)C=O)OC
InChI
InChI=1S/C11H13ClO3/c1-7(2)15-11-9(12)4-8(6-13)5-10(11)14-3/h4-7H,1-3H3
InChIKey
YJXAUTANCTWVOT-UHFFFAOYSA-N
Compound name
3-chloro-5-methoxy-4-propan-2-yloxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

228.05533 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06261 145.7
[M+Na]+ 251.04455 159.5
[M+NH4]+ 246.08915 153.8
[M+K]+ 267.01849 153.1
[M-H]- 227.04805 147.3
[M+Na-2H]- 249.03000 151.7
[M]+ 228.05478 148.4
[M]- 228.05588 148.4
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