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

48
Patents

237.93552 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.942796 139.4
[M+Na]+ 260.924738 151.0
[M-H]- 236.928244 142.2
[M+NH4]+ 255.969343 159.0
[M+K]+ 276.898678 145.9
[M+H-H2O]+ 220.932780 137.0
[M+HCOO]- 282.933721 148.9
[M+CH3COO]- 296.949371 189.8
[M+Na-2H]- 258.910186 142.9
[M]+ 237.93497142 144.7
[M]- 237.93606858 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