CID 8689

Diazoaminobenzene

Structural Information

Molecular Formula
C12H11N3
SMILES
C1=CC=C(C=C1)NN=NC2=CC=CC=C2
InChI
InChI=1S/C12H11N3/c1-3-7-11(8-4-1)13-15-14-12-9-5-2-6-10-12/h1-10H,(H,13,14)
InChIKey
ALIFPGGMJDWMJH-UHFFFAOYSA-N
Compound name
N-phenyldiazenylaniline
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

20
References

5695
Patents

197.09529 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10257 139.4
[M+Na]+ 220.08451 145.5
[M-H]- 196.08801 148.6
[M+NH4]+ 215.12911 158.6
[M+K]+ 236.05845 143.1
[M+H-H2O]+ 180.09255 130.9
[M+HCOO]- 242.09349 170.7
[M+CH3COO]- 256.10914 194.4
[M+Na-2H]- 218.06996 150.8
[M]+ 197.09474 138.6
[M]- 197.09584 138.6
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