CID 68436

569-06-2

Structural Information

Molecular Formula
C14H7FO2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)F
InChI
InChI=1S/C14H7FO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H
InChIKey
QFDHYBLCHGMWDI-UHFFFAOYSA-N
Compound name
1-fluoroanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

226.04301 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.05029 143.1
[M+Na]+ 249.03223 154.4
[M-H]- 225.03573 148.1
[M+NH4]+ 244.07683 163.9
[M+K]+ 265.00617 149.5
[M+H-H2O]+ 209.04027 135.9
[M+HCOO]- 271.04121 164.0
[M+CH3COO]- 285.05686 157.0
[M+Na-2H]- 247.01768 150.7
[M]+ 226.04246 142.8
[M]- 226.04356 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe