CID 85650

2,4,5-trichlorophenyl chloroformate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

597
Patents

257.8809 Da
Monoisotopic Mass

4.6
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

literature stripe

Patent stripe

patents stripe