CID 14517551

4-amino-3-fluorobenzenethiol

Structural Information

Molecular Formula
C6H6FNS
SMILES
C1=CC(=C(C=C1S)F)N
InChI
InChI=1S/C6H6FNS/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2
InChIKey
MAOWDGRYXPTHRM-UHFFFAOYSA-N
Compound name
4-amino-3-fluorobenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

143.0205 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02778 124.2
[M+Na]+ 166.00972 136.3
[M+NH4]+ 161.05432 133.7
[M+K]+ 181.98366 128.1
[M-H]- 142.01322 126.5
[M+Na-2H]- 163.99517 130.8
[M]+ 143.01995 127.0
[M]- 143.02105 127.0
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