CID 22148892

130922-39-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

400
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

literature stripe

Patent stripe

patents stripe