CID 737223

4-fluorothiobenzamide

Structural Information

Molecular Formula
C7H6FNS
SMILES
C1=CC(=CC=C1C(=S)N)F
InChI
InChI=1S/C7H6FNS/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChIKey
VQFOHZWOKJQOGO-UHFFFAOYSA-N
Compound name
4-fluorobenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

689
Patents

155.0205 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.02778 128.4
[M+Na]+ 178.00972 139.6
[M+NH4]+ 173.05432 137.3
[M+K]+ 193.98366 131.7
[M-H]- 154.01322 130.1
[M+Na-2H]- 175.99517 134.5
[M]+ 155.01995 130.8
[M]- 155.02105 130.8
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