CID 199601

2,4,6-trichlorophenyl chloroformate

Structural Information

Molecular Formula
C7H2Cl4O2
SMILES
C1=C(C=C(C(=C1Cl)OC(=O)Cl)Cl)Cl
InChI
InChI=1S/C7H2Cl4O2/c8-3-1-4(9)6(5(10)2-3)13-7(11)12/h1-2H
InChIKey
KUZDOAWPCGDGRN-UHFFFAOYSA-N
Compound name
(2,4,6-trichlorophenyl) carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

257.8809 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.88818 142.2
[M+Na]+ 280.87012 153.4
[M-H]- 256.87362 143.4
[M+NH4]+ 275.91472 160.3
[M+K]+ 296.84406 148.4
[M+H-H2O]+ 240.87816 140.4
[M+HCOO]- 302.87910 146.3
[M+CH3COO]- 316.89475 192.5
[M+Na-2H]- 278.85557 144.6
[M]+ 257.88035 145.9
[M]- 257.88145 145.9
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