CID 109608

Thiols, c10-20, gamma-omega-perfluoro

Structural Information

Molecular Formula
C10H7F15S
SMILES
C(CS)C(C(C(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H7F15S/c11-4(12,1-2-26)7(17,18)5(13,14)3-6(15,16)8(19,20)9(21,22)10(23,24)25/h26H,1-3H2
InChIKey
ROKKEEDUUQVHFZ-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-pentadecafluorodecane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

444.0029 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.01018 183.0
[M+Na]+ 466.99212 190.9
[M-H]- 442.99562 166.8
[M+NH4]+ 462.03672 173.6
[M+K]+ 482.96606 186.6
[M+H-H2O]+ 427.00016 167.2
[M+HCOO]- 489.00110 187.3
[M+CH3COO]- 503.01675 228.5
[M+Na-2H]- 464.97757 182.9
[M]+ 444.00235 162.4
[M]- 444.00345 162.4
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