CID 13472030

2,6-difluorobenzenethiol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

456
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

No literature data available for this compound.

Patent stripe

patents stripe