CID 74747

Diazene, (4-isocyanatophenyl)phenyl-

Structural Information

Molecular Formula
C13H9N3O
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=C=O
InChI
InChI=1S/C13H9N3O/c17-10-14-11-6-8-13(9-7-11)16-15-12-4-2-1-3-5-12/h1-9H
InChIKey
HICXYNWIRHBSKQ-UHFFFAOYSA-N
Compound name
(4-isocyanatophenyl)-phenyldiazene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

113
Patents

223.07455 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08183 145.9
[M+Na]+ 246.06377 153.5
[M-H]- 222.06727 156.8
[M+NH4]+ 241.10837 164.9
[M+K]+ 262.03771 151.2
[M+H-H2O]+ 206.07181 136.9
[M+HCOO]- 268.07275 179.0
[M+CH3COO]- 282.08840 200.9
[M+Na-2H]- 244.04922 156.3
[M]+ 223.07400 147.6
[M]- 223.07510 147.6
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.