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
3
Annotation Hits

0
References

132
Patents

270.06406 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.071336 157.9
[M+Na]+ 293.053278 163.9
[M-H]- 269.056784 167.2
[M+NH4]+ 288.097883 174.2
[M+K]+ 309.027218 163.3
[M+H-H2O]+ 253.061320 148.8
[M+HCOO]- 315.062261 186.8
[M+CH3COO]- 329.077911 201.2
[M+Na-2H]- 291.038726 165.3
[M]+ 270.06351142 161.1
[M]- 270.06460858 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.