CID 135424953

914471-09-3

Structural Information

Molecular Formula
C9H7ClFN5O2
SMILES
C1=CC(=C(C=C1N=C(C2=NON=C2N)NO)Cl)F
InChI
InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
InChIKey
HGXSLPIXNPASGZ-UHFFFAOYSA-N
Compound name
4-amino-N'-(3-chloro-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

92
References

553
Patents

271.02722 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.03450 156.3
[M+Na]+ 294.01644 165.8
[M-H]- 270.01994 160.4
[M+NH4]+ 289.06104 170.2
[M+K]+ 309.99038 162.2
[M+H-H2O]+ 254.02448 147.2
[M+HCOO]- 316.02542 175.9
[M+CH3COO]- 330.04107 199.8
[M+Na-2H]- 292.00189 160.9
[M]+ 271.02667 156.5
[M]- 271.02777 156.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe