CID 13142206

5-(2-chloro-6-fluorophenyl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C8H5ClFN3S
SMILES
C1=CC(=C(C(=C1)Cl)C2=NN=C(S2)N)F
InChI
InChI=1S/C8H5ClFN3S/c9-4-2-1-3-5(10)6(4)7-12-13-8(11)14-7/h1-3H,(H2,11,13)
InChIKey
QMVHYPVHVBSJCN-UHFFFAOYSA-N
Compound name
5-(2-chloro-6-fluorophenyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.98767 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.99495 142.0
[M+Na]+ 251.97689 154.4
[M-H]- 227.98039 145.7
[M+NH4]+ 247.02149 160.7
[M+K]+ 267.95083 148.4
[M+H-H2O]+ 211.98493 134.6
[M+HCOO]- 273.98587 156.1
[M+CH3COO]- 288.00152 155.4
[M+Na-2H]- 249.96234 143.6
[M]+ 228.98712 143.5
[M]- 228.98822 143.5
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.