CID 74825

2007-97-8

Structural Information

Molecular Formula
C6H4Cl3O2P
SMILES
C1=CC=C2C(=C1)OP(O2)(Cl)(Cl)Cl
InChI
InChI=1S/C6H4Cl3O2P/c7-12(8,9)10-5-3-1-2-4-6(5)11-12/h1-4H
InChIKey
PHDTZFMTDQJSSW-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-1,3,2lambda5-benzodioxaphosphole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

243.90144 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.90872 135.5
[M+Na]+ 266.89066 149.8
[M+NH4]+ 261.93526 145.1
[M+K]+ 282.86460 144.8
[M-H]- 242.89416 139.4
[M+Na-2H]- 264.87611 140.9
[M]+ 243.90089 139.5
[M]- 243.90199 139.5
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

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