CID 13705

4-methylazobenzene

Structural Information

Molecular Formula
C13H12N2
SMILES
CC1=CC=C(C=C1)N=NC2=CC=CC=C2
InChI
InChI=1S/C13H12N2/c1-11-7-9-13(10-8-11)15-14-12-5-3-2-4-6-12/h2-10H,1H3
InChIKey
GIJSVMOPNUOZBC-UHFFFAOYSA-N
Compound name
(4-methylphenyl)-phenyldiazene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1127
Patents

196.10005 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.107326 141.0
[M+Na]+ 219.089268 148.6
[M-H]- 195.092774 150.6
[M+NH4]+ 214.133873 161.0
[M+K]+ 235.063208 146.0
[M+H-H2O]+ 179.097310 133.0
[M+HCOO]- 241.098251 171.1
[M+CH3COO]- 255.113901 193.6
[M+Na-2H]- 217.074716 150.7
[M]+ 196.09950142 141.7
[M]- 196.10059858 141.7
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