CID 3717924

Nsc116760

Structural Information

Molecular Formula
C13H7NO3S
SMILES
C1=CC=C2C(=C1)C3=CC(=C(C=C3C2=O)[N+](=O)[O-])S
InChI
InChI=1S/C13H7NO3S/c15-13-8-4-2-1-3-7(8)9-6-12(18)11(14(16)17)5-10(9)13/h1-6,18H
InChIKey
DBHAPQOKRNTQAN-UHFFFAOYSA-N
Compound name
2-nitro-3-sulfanylfluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.01468 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.02196 152.3
[M+Na]+ 280.00390 162.6
[M-H]- 256.00740 159.0
[M+NH4]+ 275.04850 173.2
[M+K]+ 295.97784 154.2
[M+H-H2O]+ 240.01194 151.7
[M+HCOO]- 302.01288 172.1
[M+CH3COO]- 316.02853 189.3
[M+Na-2H]- 277.98935 158.3
[M]+ 257.01413 155.1
[M]- 257.01523 155.1
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.