CID 14251073

19829-42-6

Structural Information

Molecular Formula
C16H12Cl2O4
SMILES
C1=CC(=CC=C1COC(=O)C(=O)OCC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H12Cl2O4/c17-13-5-1-11(2-6-13)9-21-15(19)16(20)22-10-12-3-7-14(18)8-4-12/h1-8H,9-10H2
InChIKey
QWHCTYYBLDCYIT-UHFFFAOYSA-N
Compound name
bis[(4-chlorophenyl)methyl] oxalate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1839
Patents

338.01126 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.01854 170.0
[M+Na]+ 361.00048 178.9
[M-H]- 337.00398 176.3
[M+NH4]+ 356.04508 185.0
[M+K]+ 376.97442 173.7
[M+H-H2O]+ 321.00852 164.0
[M+HCOO]- 383.00946 183.6
[M+CH3COO]- 397.02511 204.6
[M+Na-2H]- 358.98593 172.3
[M]+ 338.01071 177.2
[M]- 338.01181 177.2
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