CID 11990352

Di-p-chlorobenzyl azodicarboxylate(dcad)

Structural Information

Molecular Formula
C16H12Cl2N2O4
SMILES
C1=CC(=CC=C1COC(=O)/N=N/C(=O)OCC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H12Cl2N2O4/c17-13-5-1-11(2-6-13)9-23-15(21)19-20-16(22)24-10-12-3-7-14(18)8-4-12/h1-8H,9-10H2/b20-19+
InChIKey
UIFGGABIJBWRMG-FMQUCBEESA-N
Compound name
(4-chlorophenyl)methyl (NE)-N-[(4-chlorophenyl)methoxycarbonylimino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1460
Patents

366.01743 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.02471 178.5
[M+Na]+ 389.00665 192.2
[M+NH4]+ 384.05125 185.5
[M+K]+ 404.98059 184.4
[M-H]- 365.01015 182.8
[M+Na-2H]- 386.99210 186.9
[M]+ 366.01688 182.1
[M]- 366.01798 182.1
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.