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

18
Patents

219.9694 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.976676 136.3
[M+Na]+ 242.958618 148.7
[M-H]- 218.962124 139.3
[M+NH4]+ 238.003223 156.3
[M+K]+ 258.932558 143.9
[M+H-H2O]+ 202.966660 133.6
[M+HCOO]- 264.967601 151.0
[M+CH3COO]- 278.983251 184.2
[M+Na-2H]- 240.944066 140.9
[M]+ 219.96885142 142.1
[M]- 219.96994858 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