CID 3434885

583-42-6

Structural Information

Molecular Formula
C7H5FN2S
SMILES
C1=CC2=C(C=C1F)NC(=S)N2
InChI
InChI=1S/C7H5FN2S/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)
InChIKey
XTTJBCKSGKYUMN-UHFFFAOYSA-N
Compound name
5-fluoro-1,3-dihydrobenzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

168.01575 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02303 127.1
[M+Na]+ 191.00497 140.0
[M-H]- 167.00847 126.6
[M+NH4]+ 186.04957 147.9
[M+K]+ 206.97891 133.9
[M+H-H2O]+ 151.01301 121.2
[M+HCOO]- 213.01395 143.1
[M+CH3COO]- 227.02960 140.9
[M+Na-2H]- 188.99042 131.7
[M]+ 168.01520 126.3
[M]- 168.01630 126.3
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

patents stripe