CID 12398450

4-chloro-3,5-dimethoxybenzaldehyde

Structural Information

Molecular Formula
C9H9ClO3
SMILES
COC1=CC(=CC(=C1Cl)OC)C=O
InChI
InChI=1S/C9H9ClO3/c1-12-7-3-6(5-11)4-8(13-2)9(7)10/h3-5H,1-2H3
InChIKey
GTEZQOCVTNORJP-UHFFFAOYSA-N
Compound name
4-chloro-3,5-dimethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

60
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 135.5
[M+Na]+ 223.01324 146.7
[M-H]- 199.01674 140.1
[M+NH4]+ 218.05784 156.4
[M+K]+ 238.98718 143.9
[M+H-H2O]+ 183.02128 131.1
[M+HCOO]- 245.02222 156.5
[M+CH3COO]- 259.03787 183.8
[M+Na-2H]- 220.99869 141.4
[M]+ 200.02347 142.2
[M]- 200.02457 142.2
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