CID 102375210

292820-62-3

Structural Information

Molecular Formula
C17H23F13S
SMILES
C(CCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCCS
InChI
InChI=1S/C17H23F13S/c18-12(19,10-8-6-4-2-1-3-5-7-9-11-31)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h31H,1-11H2
InChIKey
AVVVMQBSZLTVNU-UHFFFAOYSA-N
Compound name
12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.1313 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.13858 206.6
[M+Na]+ 529.12052 196.5
[M-H]- 505.12402 187.7
[M+NH4]+ 524.16512 196.7
[M+K]+ 545.09446 205.8
[M+H-H2O]+ 489.12856 190.7
[M+HCOO]- 551.12950 209.4
[M+CH3COO]- 565.14515 241.2
[M+Na-2H]- 527.10597 203.4
[M]+ 506.13075 192.8
[M]- 506.13185 192.8
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.