CID 26597093

4-bromo-3-fluorothiophenol

Structural Information

Molecular Formula
C6H4BrFS
SMILES
C1=CC(=C(C=C1S)F)Br
InChI
InChI=1S/C6H4BrFS/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChIKey
QWSUMJXRROQYPN-UHFFFAOYSA-N
Compound name
4-bromo-3-fluorobenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

205.9201 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.92738 122.1
[M+Na]+ 228.90932 136.4
[M-H]- 204.91282 128.5
[M+NH4]+ 223.95392 146.0
[M+K]+ 244.88326 124.9
[M+H-H2O]+ 188.91736 122.7
[M+HCOO]- 250.91830 139.3
[M+CH3COO]- 264.93395 181.9
[M+Na-2H]- 226.89477 128.5
[M]+ 205.91955 141.5
[M]- 205.92065 141.5
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