CID 9567831

Guanoxabenz

Structural Information

Molecular Formula
C8H8Cl2N4O
SMILES
C1=CC(=C(C(=C1)Cl)/C=N/N=C(\N)/NO)Cl
InChI
InChI=1S/C8H8Cl2N4O/c9-6-2-1-3-7(10)5(6)4-12-13-8(11)14-15/h1-4,15H,(H3,11,13,14)/b12-4+
InChIKey
QKIQJNNDIWGVEH-UUILKARUSA-N
Compound name
2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

21
References

1788
Patents

246.00752 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.014796 152.8
[M+Na]+ 268.996738 161.1
[M-H]- 245.000244 157.0
[M+NH4]+ 264.041343 170.9
[M+K]+ 284.970678 156.2
[M+H-H2O]+ 229.004780 147.7
[M+HCOO]- 291.005721 172.5
[M+CH3COO]- 305.021371 200.0
[M+Na-2H]- 266.982186 157.7
[M]+ 246.00697142 153.4
[M]- 246.00806858 153.4
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