CID 57799141

2,3-dichloro-6-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H6Cl2O2
SMILES
COC1=C(C(=C(C=C1)Cl)Cl)C=O
InChI
InChI=1S/C8H6Cl2O2/c1-12-7-3-2-6(9)8(10)5(7)4-11/h2-4H,1H3
InChIKey
LKRDOTPHEHYNEP-UHFFFAOYSA-N
Compound name
2,3-dichloro-6-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

203.97449 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.981766 133.9
[M+Na]+ 226.963708 146.0
[M-H]- 202.967214 137.9
[M+NH4]+ 222.008313 155.1
[M+K]+ 242.937648 141.4
[M+H-H2O]+ 186.971750 130.8
[M+HCOO]- 248.972691 149.8
[M+CH3COO]- 262.988341 183.5
[M+Na-2H]- 224.949156 139.6
[M]+ 203.97394142 139.8
[M]- 203.97503858 139.8
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