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

22
Patents

203.97449 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.98177 133.9
[M+Na]+ 226.96371 146.0
[M-H]- 202.96721 137.9
[M+NH4]+ 222.00831 155.1
[M+K]+ 242.93765 141.4
[M+H-H2O]+ 186.97175 130.8
[M+HCOO]- 248.97269 149.8
[M+CH3COO]- 262.98834 183.5
[M+Na-2H]- 224.94916 139.6
[M]+ 203.97394 139.8
[M]- 203.97504 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