CID 12654214

55009-88-6

Structural Information

Molecular Formula
C10HF17
SMILES
C#CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10HF17/c1-2-3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1H
InChIKey
MPHNQMXBZMOYGA-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-yne
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

35
Patents

443.98068 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.98796 174.2
[M+Na]+ 466.96990 182.5
[M-H]- 442.97340 158.1
[M+NH4]+ 462.01450 173.5
[M+K]+ 482.94384 180.9
[M+H-H2O]+ 426.97794 154.7
[M+HCOO]- 488.97888 185.6
[M+CH3COO]- 502.99453 232.8
[M+Na-2H]- 464.95535 175.7
[M]+ 443.98013 144.8
[M]- 443.98123 144.8
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

patents stripe