CID 299622

8,8,9,9-tetrafluoroacenaphtho(1,2-b)thiophene

Structural Information

Molecular Formula
C14H8F4S
SMILES
C1=CC2=C3C(=C1)C4C(C3=CC=C2)SC(C4(F)F)(F)F
InChI
InChI=1S/C14H8F4S/c15-13(16)11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)19-14(13,17)18/h1-6,11-12H
InChIKey
ATLVOVJOICIDJY-UHFFFAOYSA-N
Compound name
8,8,9,9-tetrafluoro-6b,9a-dihydroacenaphthyleno[2,1-b]thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0283 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.03558 155.1
[M+Na]+ 307.01752 169.0
[M-H]- 283.02102 157.0
[M+NH4]+ 302.06212 183.1
[M+K]+ 322.99146 162.2
[M+H-H2O]+ 267.02556 147.9
[M+HCOO]- 329.02650 167.3
[M+CH3COO]- 343.04215 168.1
[M+Na-2H]- 305.00297 157.5
[M]+ 284.02775 155.0
[M]- 284.02885 155.0
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.