CID 82609

10411-85-5

Structural Information

Molecular Formula
C8H5Cl3O2
SMILES
COC1=C(C=CC(=C1C(=O)Cl)Cl)Cl
InChI
InChI=1S/C8H5Cl3O2/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3
InChIKey
LLUYGIUJQSTELT-UHFFFAOYSA-N
Compound name
3,6-dichloro-2-methoxybenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

237.93552 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.94280 139.4
[M+Na]+ 260.92474 151.0
[M-H]- 236.92824 142.2
[M+NH4]+ 255.96934 159.0
[M+K]+ 276.89868 145.9
[M+H-H2O]+ 220.93278 137.0
[M+HCOO]- 282.93372 148.9
[M+CH3COO]- 296.94937 189.8
[M+Na-2H]- 258.91019 142.9
[M]+ 237.93497 144.7
[M]- 237.93607 144.7
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