CID 21483726

2,5-dichlorophenyl chloroformate

Structural Information

Molecular Formula
C7H3Cl3O2
SMILES
C1=CC(=C(C=C1Cl)OC(=O)Cl)Cl
InChI
InChI=1S/C7H3Cl3O2/c8-4-1-2-5(9)6(3-4)12-7(10)11/h1-3H
InChIKey
IWBVVKMRLNSDNC-UHFFFAOYSA-N
Compound name
(2,5-dichlorophenyl) carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

223.91986 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.92714 135.8
[M+Na]+ 246.90908 146.9
[M-H]- 222.91258 138.4
[M+NH4]+ 241.95368 155.6
[M+K]+ 262.88302 142.1
[M+H-H2O]+ 206.91712 133.3
[M+HCOO]- 268.91806 145.6
[M+CH3COO]- 282.93371 185.2
[M+Na-2H]- 244.89453 140.4
[M]+ 223.91931 140.2
[M]- 223.92041 140.2
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