CID 3597540

3,5-dichloro-2-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H6Cl2O2
SMILES
COC1=C(C=C(C=C1Cl)Cl)C=O
InChI
InChI=1S/C8H6Cl2O2/c1-12-8-5(4-11)2-6(9)3-7(8)10/h2-4H,1H3
InChIKey
OYKSTJSVNQYCRE-UHFFFAOYSA-N
Compound name
3,5-dichloro-2-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

203.97449 Da
Monoisotopic Mass

2.9
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

literature stripe

Patent stripe

patents stripe