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

1483
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 179.8
[M+Na]+ 389.00665 188.0
[M-H]- 365.01015 188.6
[M+NH4]+ 384.05125 194.3
[M+K]+ 404.98059 184.0
[M+H-H2O]+ 349.01469 172.4
[M+HCOO]- 411.01563 198.4
[M+CH3COO]- 425.03128 217.2
[M+Na-2H]- 386.99210 183.5
[M]+ 366.01688 188.4
[M]- 366.01798 188.4
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.