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

60
Patents

195.03317 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.040446 135.2
[M+Na]+ 218.022388 144.5
[M-H]- 194.025894 139.2
[M+NH4]+ 213.066993 156.9
[M+K]+ 233.996328 137.9
[M+H-H2O]+ 178.030430 134.1
[M+HCOO]- 240.031371 159.4
[M+CH3COO]- 254.047021 177.5
[M+Na-2H]- 216.007836 141.8
[M]+ 195.03262142 132.8
[M]- 195.03371858 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