CID 17388814

N-[5-(heptafluoropropyl)-1,3,4-thiadiazol-2-yl]acetamide

Structural Information

Molecular Formula
C7H4F7N3OS
SMILES
CC(=O)NC1=NN=C(S1)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H4F7N3OS/c1-2(18)15-4-17-16-3(19-4)5(8,9)6(10,11)7(12,13)14/h1H3,(H,15,17,18)
InChIKey
UZHFMCLWCHAURR-UHFFFAOYSA-N
Compound name
N-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,4-thiadiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

310.99634 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.00362 154.8
[M+Na]+ 333.98556 164.3
[M-H]- 309.98906 147.7
[M+NH4]+ 329.03016 168.6
[M+K]+ 349.95950 160.9
[M+H-H2O]+ 293.99360 143.0
[M+HCOO]- 355.99454 161.2
[M+CH3COO]- 370.01019 202.1
[M+Na-2H]- 331.97101 156.1
[M]+ 310.99579 147.2
[M]- 310.99689 147.2
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.