CID 50998010

4-bromo-2,5-difluorobenzenethiol

Structural Information

Molecular Formula
C6H3BrF2S
SMILES
C1=C(C(=CC(=C1S)F)Br)F
InChI
InChI=1S/C6H3BrF2S/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
InChIKey
XSGKHVPYFWMQQM-UHFFFAOYSA-N
Compound name
4-bromo-2,5-difluorobenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

223.91069 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.91797 130.4
[M+Na]+ 246.89991 134.0
[M+NH4]+ 241.94451 135.7
[M+K]+ 262.87385 132.1
[M-H]- 222.90341 129.7
[M+Na-2H]- 244.88536 133.8
[M]+ 223.91014 130.0
[M]- 223.91124 130.0
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

patents stripe