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 148.8
[M+Na]+ 267.03626 162.0
[M-H]- 243.03976 152.8
[M+NH4]+ 262.08086 167.1
[M+K]+ 283.01020 154.5
[M+H-H2O]+ 227.04430 141.2
[M+HCOO]- 289.04524 165.8
[M+CH3COO]- 303.06089 162.0
[M+Na-2H]- 265.02171 152.5
[M]+ 244.04649 149.9
[M]- 244.04759 149.9
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.