CID 46703

3-methylisoxazoledione-4,5 o-chlorophenylhydrazone

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]+ 238.03778 149.7
[M+Na]+ 260.01972 160.4
[M-H]- 236.02322 158.0
[M+NH4]+ 255.06432 167.8
[M+K]+ 275.99366 157.8
[M+H-H2O]+ 220.02776 142.4
[M+HCOO]- 282.02870 173.3
[M+CH3COO]- 296.04435 194.7
[M+Na-2H]- 258.00517 156.5
[M]+ 237.02995 154.9
[M]- 237.03105 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.