CID 2758361

3,5-difluorobenzenethiol

Structural Information

Molecular Formula
C6H4F2S
SMILES
C1=C(C=C(C=C1F)S)F
InChI
InChI=1S/C6H4F2S/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChIKey
LFYVNHDFVIPZHV-UHFFFAOYSA-N
Compound name
3,5-difluorobenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

517
Patents

146.00018 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.00746 126.2
[M+Na]+ 168.98940 138.5
[M+NH4]+ 164.03400 135.2
[M+K]+ 184.96334 129.9
[M-H]- 144.99290 126.8
[M+Na-2H]- 166.97485 132.5
[M]+ 145.99963 128.5
[M]- 146.00073 128.5
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

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