CID 257610

5-p-tolylazotropolone

Structural Information

Molecular Formula
C14H12N2O2
SMILES
CC1=CC=C(C=C1)N=NC2=CC=C(C(=O)C=C2)O
InChI
InChI=1S/C14H12N2O2/c1-10-2-4-11(5-3-10)15-16-12-6-8-13(17)14(18)9-7-12/h2-9H,1H3,(H,17,18)
InChIKey
XXYWHJBFCHGAQK-UHFFFAOYSA-N
Compound name
2-hydroxy-5-[(4-methylphenyl)diazenyl]cyclohepta-2,4,6-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

240.08987 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 151.6
[M+Na]+ 263.07909 158.5
[M-H]- 239.08259 161.4
[M+NH4]+ 258.12369 168.4
[M+K]+ 279.05303 161.1
[M+H-H2O]+ 223.08713 144.9
[M+HCOO]- 285.08807 179.2
[M+CH3COO]- 299.10372 200.3
[M+Na-2H]- 261.06454 158.1
[M]+ 240.08932 150.5
[M]- 240.09042 150.5
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

patents stripe