CID 99254

2-chloro-4,6-dinitrophenyl-2-chloroethyl carbonate

Structural Information

Molecular Formula
C9H6Cl2N2O7
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])OC(=O)OCCCl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C9H6Cl2N2O7/c10-1-2-19-9(14)20-8-6(11)3-5(12(15)16)4-7(8)13(17)18/h3-4H,1-2H2
InChIKey
HZDYUFBJVYRBMA-UHFFFAOYSA-N
Compound name
(2-chloro-4,6-dinitrophenyl) 2-chloroethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.9552 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.96248 166.2
[M+Na]+ 346.94442 172.6
[M-H]- 322.94792 168.9
[M+NH4]+ 341.98902 179.2
[M+K]+ 362.91836 162.5
[M+H-H2O]+ 306.95246 171.0
[M+HCOO]- 368.95340 182.2
[M+CH3COO]- 382.96905 191.3
[M+Na-2H]- 344.92987 171.7
[M]+ 323.95465 170.0
[M]- 323.95575 170.0
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

No patent data available for this compound.