CID 46703

64047-50-3

Structural Information

Molecular Formula
C10H8ClN3O2
SMILES
CC1=NOC(=C1O)N=NC2=CC=CC=C2Cl
InChI
InChI=1S/C10H8ClN3O2/c1-6-9(15)10(16-14-6)13-12-8-5-3-2-4-7(8)11/h2-5,15H,1H3
InChIKey
FYCQKIFMORVTOY-UHFFFAOYSA-N
Compound name
5-[(2-chlorophenyl)diazenyl]-3-methyl-1,2-oxazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.0305 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.037776 149.7
[M+Na]+ 260.019718 160.4
[M-H]- 236.023224 158.0
[M+NH4]+ 255.064323 167.8
[M+K]+ 275.993658 157.8
[M+H-H2O]+ 220.027760 142.4
[M+HCOO]- 282.028701 173.3
[M+CH3COO]- 296.044351 194.7
[M+Na-2H]- 258.005166 156.5
[M]+ 237.02995142 154.9
[M]- 237.03104858 154.9
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.