CID 3016080

Bis(2,4-dichloro-5-nitrophenyl) carbonate

Structural Information

Molecular Formula
C13H4Cl4N2O7
SMILES
C1=C(C(=CC(=C1OC(=O)OC2=C(C=C(C(=C2)[N+](=O)[O-])Cl)Cl)Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C13H4Cl4N2O7/c14-5-1-7(16)11(3-9(5)18(21)22)25-13(20)26-12-4-10(19(23)24)6(15)2-8(12)17/h1-4H
InChIKey
CVUDBPILLYLOSC-UHFFFAOYSA-N
Compound name
bis(2,4-dichloro-5-nitrophenyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

439.87726 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.88454 192.9
[M+Na]+ 462.86648 198.4
[M-H]- 438.86998 195.3
[M+NH4]+ 457.91108 201.0
[M+K]+ 478.84042 188.6
[M+H-H2O]+ 422.87452 197.5
[M+HCOO]- 484.87546 197.6
[M+CH3COO]- 498.89111 212.1
[M+Na-2H]- 460.85193 193.9
[M]+ 439.87671 196.7
[M]- 439.87781 196.7
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