CID 19906853

2,3,7,8-tetrafluorothianthrene

Structural Information

Molecular Formula
C12H4F4S2
SMILES
C1=C(C(=CC2=C1SC3=C(S2)C=C(C(=C3)F)F)F)F
InChI
InChI=1S/C12H4F4S2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H
InChIKey
HQZXWPYBTPTQFT-UHFFFAOYSA-N
Compound name
2,3,7,8-tetrafluorothianthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

287.96906 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.97634 146.0
[M+Na]+ 310.95828 158.5
[M-H]- 286.96178 146.6
[M+NH4]+ 306.00288 165.1
[M+K]+ 326.93222 151.1
[M+H-H2O]+ 270.96632 137.2
[M+HCOO]- 332.96726 153.0
[M+CH3COO]- 346.98291 157.7
[M+Na-2H]- 308.94373 148.2
[M]+ 287.96851 144.6
[M]- 287.96961 144.6
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