CID 1268288

2,6-dichloro-3-hydroxy-4-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H6Cl2O3
SMILES
COC1=CC(=C(C(=C1O)Cl)C=O)Cl
InChI
InChI=1S/C8H6Cl2O3/c1-13-6-2-5(9)4(3-11)7(10)8(6)12/h2-3,12H,1H3
InChIKey
RVBGIRHZGQOTFB-UHFFFAOYSA-N
Compound name
2,6-dichloro-3-hydroxy-4-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

219.9694 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.97668 136.3
[M+Na]+ 242.95862 148.7
[M-H]- 218.96212 139.3
[M+NH4]+ 238.00322 156.3
[M+K]+ 258.93256 143.9
[M+H-H2O]+ 202.96666 133.6
[M+HCOO]- 264.96760 151.0
[M+CH3COO]- 278.98325 184.2
[M+Na-2H]- 240.94407 140.9
[M]+ 219.96885 142.1
[M]- 219.96995 142.1
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