CID 12271937

4-chloro-3-fluorobenzene-1-thiol

Structural Information

Molecular Formula
C6H4ClFS
SMILES
C1=CC(=C(C=C1S)F)Cl
InChI
InChI=1S/C6H4ClFS/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChIKey
SGUYGLGITHRVBK-UHFFFAOYSA-N
Compound name
4-chloro-3-fluorobenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

161.97063 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.97791 122.1
[M+Na]+ 184.95985 133.6
[M-H]- 160.96335 125.7
[M+NH4]+ 180.00445 145.0
[M+K]+ 200.93379 129.4
[M+H-H2O]+ 144.96789 117.6
[M+HCOO]- 206.96883 136.8
[M+CH3COO]- 220.98448 175.1
[M+Na-2H]- 182.94530 126.3
[M]+ 161.97008 124.7
[M]- 161.97118 124.7
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