CID 9570001

Chembl2009595

Structural Information

Molecular Formula
C10H8FN5O2
SMILES
C1=CC2=C(C=C1F)C(=C=N/N=C(\N)/NO)C(=O)N2
InChI
InChI=1S/C10H8FN5O2/c11-5-1-2-8-6(3-5)7(9(17)14-8)4-13-15-10(12)16-18/h1-3,18H,(H,14,17)(H3,12,15,16)
InChIKey
ZKCLQHQEPXDXGR-UHFFFAOYSA-N
Compound name
2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methylideneamino]-1-hydroxyguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.06621 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.07349 148.4
[M+Na]+ 272.05543 156.0
[M-H]- 248.05893 150.5
[M+NH4]+ 267.10003 165.8
[M+K]+ 288.02937 151.9
[M+H-H2O]+ 232.06347 140.2
[M+HCOO]- 294.06441 173.2
[M+CH3COO]- 308.08006 200.1
[M+Na-2H]- 270.04088 153.1
[M]+ 249.06566 142.7
[M]- 249.06676 142.7
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.