CID 10679106

5,6-difluoro-1h-1,3-benzodiazole-2-thiol

Structural Information

Molecular Formula
C7H4F2N2S
SMILES
C1=C2C(=CC(=C1F)F)NC(=S)N2
InChI
InChI=1S/C7H4F2N2S/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,(H2,10,11,12)
InChIKey
SPVMMWAWALXDSC-UHFFFAOYSA-N
Compound name
5,6-difluoro-1,3-dihydrobenzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

186.00633 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.013606 129.0
[M+Na]+ 208.995548 142.8
[M-H]- 184.999054 127.4
[M+NH4]+ 204.040153 149.3
[M+K]+ 224.969488 136.2
[M+H-H2O]+ 169.003590 122.4
[M+HCOO]- 231.004531 143.8
[M+CH3COO]- 245.020181 142.5
[M+Na-2H]- 206.980996 132.4
[M]+ 186.00578142 127.5
[M]- 186.00687858 127.5
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