CID 7730227

Dimethyl 2,6-dichloroterephthalate

Structural Information

Molecular Formula
C10H8Cl2O4
SMILES
COC(=O)C1=CC(=C(C(=C1)Cl)C(=O)OC)Cl
InChI
InChI=1S/C10H8Cl2O4/c1-15-9(13)5-3-6(11)8(7(12)4-5)10(14)16-2/h3-4H,1-2H3
InChIKey
LOKPWGMXOIYCAH-UHFFFAOYSA-N
Compound name
dimethyl 2,6-dichlorobenzene-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

261.97995 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.98723 145.9
[M+Na]+ 284.96917 156.9
[M-H]- 260.97267 150.1
[M+NH4]+ 280.01377 164.7
[M+K]+ 300.94311 153.4
[M+H-H2O]+ 244.97721 142.6
[M+HCOO]- 306.97815 160.2
[M+CH3COO]- 320.99380 193.0
[M+Na-2H]- 282.95462 148.5
[M]+ 261.97940 153.6
[M]- 261.98050 153.6
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