CID 23262451

2-[(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxy]ethan-1-ol

Structural Information

Molecular Formula
C9H7F13O2
SMILES
C(COCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C9H7F13O2/c10-4(11,3-24-2-1-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h23H,1-3H2
InChIKey
KXSPGFSJWMIFOC-UHFFFAOYSA-N
Compound name
2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

394.02383 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.03111 175.0
[M+Na]+ 417.01305 183.3
[M-H]- 393.01655 159.4
[M+NH4]+ 412.05765 155.3
[M+K]+ 432.98699 180.2
[M+H-H2O]+ 377.02109 161.6
[M+HCOO]- 439.02203 170.4
[M+CH3COO]- 453.03768 217.6
[M+Na-2H]- 414.99850 177.9
[M]+ 394.02328 156.2
[M]- 394.02438 156.2
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.