CID 74810

2,6-dimethoxybenzoyl chloride

Structural Information

Molecular Formula
C9H9ClO3
SMILES
COC1=C(C(=CC=C1)OC)C(=O)Cl
InChI
InChI=1S/C9H9ClO3/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3
InChIKey
NDXRPDJVAUCBOH-UHFFFAOYSA-N
Compound name
2,6-dimethoxybenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1079
Patents

200.02402 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03130 136.9
[M+Na]+ 223.01324 150.8
[M+NH4]+ 218.05784 145.4
[M+K]+ 238.98718 144.7
[M-H]- 199.01674 138.6
[M+Na-2H]- 220.99869 143.7
[M]+ 200.02347 139.7
[M]- 200.02457 139.7
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

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