CID 89855115

1469867-51-3

Structural Information

Molecular Formula
C9H8FN3O3
SMILES
CN1C2=CC(=C(C=C2N(C1=O)C)F)[N+](=O)[O-]
InChI
InChI=1S/C9H8FN3O3/c1-11-7-3-5(10)6(13(15)16)4-8(7)12(2)9(11)14/h3-4H,1-2H3
InChIKey
WVDJOIQJDAGXMP-UHFFFAOYSA-N
Compound name
5-fluoro-1,3-dimethyl-6-nitrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

225.05496 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06224 141.0
[M+Na]+ 248.04418 153.9
[M-H]- 224.04768 143.8
[M+NH4]+ 243.08878 159.6
[M+K]+ 264.01812 146.7
[M+H-H2O]+ 208.05222 138.4
[M+HCOO]- 270.05316 165.4
[M+CH3COO]- 284.06881 184.8
[M+Na-2H]- 246.02963 148.6
[M]+ 225.05441 143.0
[M]- 225.05551 143.0
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

patents stripe