CID 14626477

1-(4-fluorophenyl)-1h-1,3-benzodiazole-2-thiol

Structural Information

Molecular Formula
C13H9FN2S
SMILES
C1=CC=C2C(=C1)NC(=S)N2C3=CC=C(C=C3)F
InChI
InChI=1S/C13H9FN2S/c14-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)15-13(16)17/h1-8H,(H,15,17)
InChIKey
AJNDNJRXZKSEJY-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-1H-benzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.04704 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05432 150.3
[M+Na]+ 267.03626 165.9
[M+NH4]+ 262.08086 159.3
[M+K]+ 283.01020 157.2
[M-H]- 243.03976 153.2
[M+Na-2H]- 265.02171 158.6
[M]+ 244.04649 153.9
[M]- 244.04759 153.9
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

No patent data available for this compound.