CID 2734821

2-fluorothiobenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

155.0205 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.02778 126.5
[M+Na]+ 178.00972 135.1
[M-H]- 154.01322 129.0
[M+NH4]+ 173.05432 147.7
[M+K]+ 193.98366 131.6
[M+H-H2O]+ 138.01776 120.3
[M+HCOO]- 200.01870 144.8
[M+CH3COO]- 214.03435 177.0
[M+Na-2H]- 175.99517 129.3
[M]+ 155.01995 124.1
[M]- 155.02105 124.1
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