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]+ 349.930376 169.1
[M+Na]+ 371.912318 179.4
[M-H]- 347.915824 172.8
[M+NH4]+ 366.956923 183.5
[M+K]+ 387.886258 173.0
[M+H-H2O]+ 331.920360 165.0
[M+HCOO]- 393.921301 173.6
[M+CH3COO]- 407.936951 209.7
[M+Na-2H]- 369.897766 170.2
[M]+ 348.92255142 173.2
[M]- 348.92364858 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