CID 14492193

3-(tridecafluorohexyl)thiophene

Structural Information

Molecular Formula
C10H3F13S
SMILES
C1=CSC=C1C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H3F13S/c11-5(12,4-1-2-24-3-4)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h1-3H
InChIKey
LETXBCZWFVRELS-UHFFFAOYSA-N
Compound name
3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

401.9748 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.98208 171.6
[M+Na]+ 424.96402 180.8
[M-H]- 400.96752 160.4
[M+NH4]+ 420.00862 183.5
[M+K]+ 440.93796 176.4
[M+H-H2O]+ 384.97206 157.1
[M+HCOO]- 446.97300 168.9
[M+CH3COO]- 460.98865 218.2
[M+Na-2H]- 422.94947 172.5
[M]+ 401.97425 154.1
[M]- 401.97535 154.1
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

patents stripe