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
2
Annotation Hits

21
References

1761
Patents

246.00752 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.01480 152.8
[M+Na]+ 268.99674 161.1
[M-H]- 245.00024 157.0
[M+NH4]+ 264.04134 170.9
[M+K]+ 284.97068 156.2
[M+H-H2O]+ 229.00478 147.7
[M+HCOO]- 291.00572 172.5
[M+CH3COO]- 305.02137 200.0
[M+Na-2H]- 266.98219 157.7
[M]+ 246.00697 153.4
[M]- 246.00807 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.