CID 5009796

3,4-dichlorophenyl n-(3,4-dichlorophenyl)carbamate

Structural Information

Molecular Formula
C13H7Cl4NO2
SMILES
C1=CC(=C(C=C1NC(=O)OC2=CC(=C(C=C2)Cl)Cl)Cl)Cl
InChI
InChI=1S/C13H7Cl4NO2/c14-9-3-1-7(5-11(9)16)18-13(19)20-8-2-4-10(15)12(17)6-8/h1-6H,(H,18,19)
InChIKey
YNHFSEXKHDPCLD-UHFFFAOYSA-N
Compound name
(3,4-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

348.9231 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.93038 169.1
[M+Na]+ 371.91232 179.4
[M-H]- 347.91582 172.8
[M+NH4]+ 366.95692 183.5
[M+K]+ 387.88626 173.0
[M+H-H2O]+ 331.92036 165.0
[M+HCOO]- 393.92130 173.6
[M+CH3COO]- 407.93695 209.7
[M+Na-2H]- 369.89777 170.2
[M]+ 348.92255 173.2
[M]- 348.92365 173.2
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