CID 5381145

Diphenyl azodicarboxylate

Structural Information

Molecular Formula
C14H10N2O4
SMILES
C1=CC=C(C=C1)OC(=O)/N=N/C(=O)OC2=CC=CC=C2
InChI
InChI=1S/C14H10N2O4/c17-13(19-11-7-3-1-4-8-11)15-16-14(18)20-12-9-5-2-6-10-12/h1-10H/b16-15+
InChIKey
WDZOPGZTGVJDMZ-FOCLMDBBSA-N
Compound name
phenyl (NE)-N-phenoxycarbonyliminocarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

270.06406 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07134 157.9
[M+Na]+ 293.05328 163.9
[M-H]- 269.05678 167.2
[M+NH4]+ 288.09788 174.2
[M+K]+ 309.02722 163.3
[M+H-H2O]+ 253.06132 148.8
[M+HCOO]- 315.06226 186.8
[M+CH3COO]- 329.07791 201.2
[M+Na-2H]- 291.03873 165.3
[M]+ 270.06351 161.1
[M]- 270.06461 161.1
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.