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 135.2
[M+Na]+ 218.02239 144.5
[M-H]- 194.02589 139.2
[M+NH4]+ 213.06699 156.9
[M+K]+ 233.99633 137.9
[M+H-H2O]+ 178.03043 134.1
[M+HCOO]- 240.03137 159.4
[M+CH3COO]- 254.04702 177.5
[M+Na-2H]- 216.00784 141.8
[M]+ 195.03262 132.8
[M]- 195.03372 132.8
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