CID 3057213

73986-60-4

Structural Information

Molecular Formula
C13H5Cl5N2O4
SMILES
C1=CC(=C(C=C1NC(=O)OC2=C(C(=C(C=C2Cl)Cl)Cl)[N+](=O)[O-])Cl)Cl
InChI
InChI=1S/C13H5Cl5N2O4/c14-6-2-1-5(3-7(6)15)19-13(21)24-12-9(17)4-8(16)10(18)11(12)20(22)23/h1-4H,(H,19,21)
InChIKey
ZZBMSVVBQFZDQM-UHFFFAOYSA-N
Compound name
(3,4,6-trichloro-2-nitrophenyl) N-(3,4-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.8692 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.87648 189.5
[M+Na]+ 450.85842 196.7
[M-H]- 426.86192 190.3
[M+NH4]+ 445.90302 198.9
[M+K]+ 466.83236 189.3
[M+H-H2O]+ 410.86646 190.4
[M+HCOO]- 472.86740 188.9
[M+CH3COO]- 486.88305 218.2
[M+Na-2H]- 448.84387 187.8
[M]+ 427.86865 191.5
[M]- 427.86975 191.5
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.