CID 3040213

51807-86-4

Structural Information

Molecular Formula
C9H8ClN3O2
SMILES
C1=CC(=CC=C1C(C2=NOC(=N2)N)O)Cl
InChI
InChI=1S/C9H8ClN3O2/c10-6-3-1-5(2-4-6)7(14)8-12-9(11)15-13-8/h1-4,7,14H,(H2,11,12,13)
InChIKey
DNVUTKHMJYIDBL-UHFFFAOYSA-N
Compound name
(5-amino-1,2,4-oxadiazol-3-yl)-(4-chlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.0305 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.03778 145.3
[M+Na]+ 248.01972 158.2
[M+NH4]+ 243.06432 152.6
[M+K]+ 263.99366 155.2
[M-H]- 224.02322 148.6
[M+Na-2H]- 246.00517 151.9
[M]+ 225.02995 148.2
[M]- 225.03105 148.2
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.