CID 13472030

172366-44-8

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

486
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 119.0
[M+Na]+ 168.98940 129.9
[M-H]- 144.99290 121.3
[M+NH4]+ 164.03400 141.6
[M+K]+ 184.96334 127.0
[M+H-H2O]+ 128.99744 112.6
[M+HCOO]- 190.99838 137.2
[M+CH3COO]- 205.01403 174.0
[M+Na-2H]- 166.97485 123.0
[M]+ 145.99963 118.6
[M]- 146.00073 118.6
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