CID 240052

3-chloro-4,5-dimethoxybenzaldehyde

Structural Information

Molecular Formula
C9H9ClO3
SMILES
COC1=C(C(=CC(=C1)C=O)Cl)OC
InChI
InChI=1S/C9H9ClO3/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-5H,1-2H3
InChIKey
AMZCHEDPEAQEMC-UHFFFAOYSA-N
Compound name
3-chloro-4,5-dimethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

115
Patents

200.02402 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03130 136.5
[M+Na]+ 223.01324 151.1
[M+NH4]+ 218.05784 145.0
[M+K]+ 238.98718 144.3
[M-H]- 199.01674 138.4
[M+Na-2H]- 220.99869 143.4
[M]+ 200.02347 139.4
[M]- 200.02457 139.4
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