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]+ 229.994946 142.0
[M+Na]+ 251.976888 154.4
[M-H]- 227.980394 145.7
[M+NH4]+ 247.021493 160.7
[M+K]+ 267.950828 148.4
[M+H-H2O]+ 211.984930 134.6
[M+HCOO]- 273.985871 156.1
[M+CH3COO]- 288.001521 155.4
[M+Na-2H]- 249.962336 143.6
[M]+ 228.98712142 143.5
[M]- 228.98821858 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.