CID 92036

2-chloro-3',4'-dimethoxybenzil

Structural Information

Molecular Formula
C16H13ClO4
SMILES
COC1=C(C=C(C=C1)C(=O)C(=O)C2=CC=CC=C2Cl)OC
InChI
InChI=1S/C16H13ClO4/c1-20-13-8-7-10(9-14(13)21-2)15(18)16(19)11-5-3-4-6-12(11)17/h3-9H,1-2H3
InChIKey
ULVSCSFZMZRZHJ-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

19
Patents

304.05023 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.05751 164.8
[M+Na]+ 327.03945 179.8
[M+NH4]+ 322.08405 172.3
[M+K]+ 343.01339 172.9
[M-H]- 303.04295 168.2
[M+Na-2H]- 325.02490 172.8
[M]+ 304.04968 168.2
[M]- 304.05078 168.2
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