CID 2804407

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

Structural Information

Molecular Formula
C5H2F7N3S
SMILES
C1(=NN=C(S1)N)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C5H2F7N3S/c6-3(7,1-14-15-2(13)16-1)4(8,9)5(10,11)12/h(H2,13,15)
InChIKey
YVJDNBITOVWWQY-UHFFFAOYSA-N
Compound name
5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1
Patents

268.98578 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.99306 143.8
[M+Na]+ 291.97500 154.3
[M-H]- 267.97850 136.3
[M+NH4]+ 287.01960 159.1
[M+K]+ 307.94894 150.5
[M+H-H2O]+ 251.98304 132.2
[M+HCOO]- 313.98398 150.8
[M+CH3COO]- 327.99963 194.4
[M+Na-2H]- 289.96045 145.7
[M]+ 268.98523 134.5
[M]- 268.98633 134.5
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