CID 3830315

3,5-dichloro-4-methoxybenzoyl chloride

Structural Information

Molecular Formula
C8H5Cl3O2
SMILES
COC1=C(C=C(C=C1Cl)C(=O)Cl)Cl
InChI
InChI=1S/C8H5Cl3O2/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3H,1H3
InChIKey
XWIGDNQZKUVSQD-UHFFFAOYSA-N
Compound name
3,5-dichloro-4-methoxybenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

237.93552 Da
Monoisotopic Mass

3.9
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

No literature data available for this compound.

Patent stripe

patents stripe