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]+ 285.035576 155.1
[M+Na]+ 307.017518 169.0
[M-H]- 283.021024 157.0
[M+NH4]+ 302.062123 183.1
[M+K]+ 322.991458 162.2
[M+H-H2O]+ 267.025560 147.9
[M+HCOO]- 329.026501 167.3
[M+CH3COO]- 343.042151 168.1
[M+Na-2H]- 305.002966 157.5
[M]+ 284.02775142 155.0
[M]- 284.02884858 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.