CID 71777784

2,2,3,3,4,4,4-heptafluoro-1-(morpholin-4-yl)butane-1-thione

Structural Information

Molecular Formula
C8H8F7NOS
SMILES
C1COCCN1C(=S)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H8F7NOS/c9-6(10,7(11,12)8(13,14)15)5(18)16-1-3-17-4-2-16/h1-4H2
InChIKey
AMLFDTSTDKGEKX-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-1-morpholin-4-ylbutane-1-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

299.02148 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.02876 154.6
[M+Na]+ 322.01070 161.0
[M-H]- 298.01420 147.8
[M+NH4]+ 317.05530 167.0
[M+K]+ 337.98464 158.8
[M+H-H2O]+ 282.01874 143.1
[M+HCOO]- 344.01968 155.5
[M+CH3COO]- 358.03533 197.7
[M+Na-2H]- 319.99615 155.6
[M]+ 299.02093 142.8
[M]- 299.02203 142.8
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

No patent data available for this compound.