CID 125488954

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-[(prop-2-yn-1-yl)oxy]octane

Structural Information

Molecular Formula
C11H7F13O
SMILES
C#CCOCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H7F13O/c1-2-4-25-5-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1H,3-5H2
InChIKey
UHVIBVXXGUDLQH-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-prop-2-ynoxyoctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

402.02893 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.03621 167.6
[M+Na]+ 425.01815 175.7
[M-H]- 401.02165 153.4
[M+NH4]+ 420.06275 175.9
[M+K]+ 440.99209 173.8
[M+H-H2O]+ 385.02619 149.2
[M+HCOO]- 447.02713 164.6
[M+CH3COO]- 461.04278 226.0
[M+Na-2H]- 423.00360 169.3
[M]+ 402.02838 145.9
[M]- 402.02948 145.9
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