CID 10678361

2-amino-6-fluorobenzene-1-thiol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

143.0205 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02778 122.1
[M+Na]+ 166.00972 132.0
[M-H]- 142.01322 125.0
[M+NH4]+ 161.05432 144.2
[M+K]+ 181.98366 128.9
[M+H-H2O]+ 126.01776 116.1
[M+HCOO]- 188.01870 141.5
[M+CH3COO]- 202.03435 175.2
[M+Na-2H]- 163.99517 125.8
[M]+ 143.01995 120.9
[M]- 143.02105 120.9
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