CID 3676432

5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C4H2F5N3S
SMILES
C1(=NN=C(S1)N)C(C(F)(F)F)(F)F
InChI
InChI=1S/C4H2F5N3S/c5-3(6,4(7,8)9)1-11-12-2(10)13-1/h(H2,10,12)
InChIKey
NGOZZJNCZLAIPT-UHFFFAOYSA-N
Compound name
5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

218.98895 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.99623 134.1
[M+Na]+ 241.97817 144.9
[M-H]- 217.98167 129.2
[M+NH4]+ 237.02277 151.8
[M+K]+ 257.95211 141.7
[M+H-H2O]+ 201.98621 124.1
[M+HCOO]- 263.98715 145.2
[M+CH3COO]- 278.00280 185.0
[M+Na-2H]- 239.96362 136.5
[M]+ 218.98840 127.8
[M]- 218.98950 127.8
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