CID 3033549

Brn 2030064

Structural Information

Molecular Formula
C16H8Cl6N2O4
SMILES
C1=C(C(=CC(=C1Cl)Cl)Cl)OC(=O)N/C=C/NC(=O)OC2=CC(=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C16H8Cl6N2O4/c17-7-3-11(21)13(5-9(7)19)27-15(25)23-1-2-24-16(26)28-14-6-10(20)8(18)4-12(14)22/h1-6H,(H,23,25)(H,24,26)/b2-1+
InChIKey
CEDCFCMKDWXNNH-OWOJBTEDSA-N
Compound name
(2,4,5-trichlorophenyl) N-[(E)-2-[(2,4,5-trichlorophenoxy)carbonylamino]ethenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.8615 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.86878 200.9
[M+Na]+ 524.85072 208.4
[M-H]- 500.85422 200.6
[M+NH4]+ 519.89532 208.3
[M+K]+ 540.82466 204.4
[M+H-H2O]+ 484.85876 197.8
[M+HCOO]- 546.85970 194.8
[M+CH3COO]- 560.87535 235.2
[M+Na-2H]- 522.83617 195.7
[M]+ 501.86095 202.9
[M]- 501.86205 202.9
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.