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

80
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

literature stripe

Patent stripe

patents stripe