CID 55274728

7-fluoro-4-nitro-2,3-dihydro-1h-inden-1-one

Structural Information

Molecular Formula
C9H6FNO3
SMILES
C1CC(=O)C2=C(C=CC(=C21)[N+](=O)[O-])F
InChI
InChI=1S/C9H6FNO3/c10-6-2-3-7(11(13)14)5-1-4-8(12)9(5)6/h2-3H,1,4H2
InChIKey
DNWKXBXLPVMDAG-UHFFFAOYSA-N
Compound name
7-fluoro-4-nitro-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

195.03317 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.04045 134.6
[M+Na]+ 218.02239 146.8
[M+NH4]+ 213.06699 142.9
[M+K]+ 233.99633 145.3
[M-H]- 194.02589 136.3
[M+Na-2H]- 216.00784 139.0
[M]+ 195.03262 136.5
[M]- 195.03372 136.5
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