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
1
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]+ 197.10733 141.0
[M+Na]+ 219.08927 148.6
[M-H]- 195.09277 150.6
[M+NH4]+ 214.13387 161.0
[M+K]+ 235.06321 146.0
[M+H-H2O]+ 179.09731 133.0
[M+HCOO]- 241.09825 171.1
[M+CH3COO]- 255.11390 193.6
[M+Na-2H]- 217.07472 150.7
[M]+ 196.09950 141.7
[M]- 196.10060 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.