CID 3040214

51807-87-5

Structural Information

Molecular Formula
C9H7Cl2N3O2
SMILES
C1=CC(=C(C=C1C(C2=NOC(=N2)N)O)Cl)Cl
InChI
InChI=1S/C9H7Cl2N3O2/c10-5-2-1-4(3-6(5)11)7(15)8-13-9(12)16-14-8/h1-3,7,15H,(H2,12,13,14)
InChIKey
AFERIZZDMMMFCF-UHFFFAOYSA-N
Compound name
(5-amino-1,2,4-oxadiazol-3-yl)-(3,4-dichlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.99155 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.99883 152.1
[M+Na]+ 281.98077 162.8
[M-H]- 257.98427 155.3
[M+NH4]+ 277.02537 167.0
[M+K]+ 297.95471 158.2
[M+H-H2O]+ 241.98881 145.4
[M+HCOO]- 303.98975 163.7
[M+CH3COO]- 318.00540 164.1
[M+Na-2H]- 279.96622 155.1
[M]+ 258.99100 154.6
[M]- 258.99210 154.6
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.