CID 139596210

Perfluoroheptenol

Structural Information

Molecular Formula
C7HF13O
SMILES
C(=C(/C(F)(F)F)\F)(\C(C(C(C(O)(F)F)(F)F)(F)F)(F)F)/F
InChI
InChI=1S/C7HF13O/c8-1(2(9)4(12,13)14)3(10,11)5(15,16)6(17,18)7(19,20)21/h21H/b2-1+
InChIKey
NFMZAQRWTUWWTQ-OWOJBTEDSA-N
Compound name
(E)-1,1,2,2,3,3,4,4,5,6,7,7,7-tridecafluorohept-5-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

347.982 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.989276 158.7
[M+Na]+ 370.971218 167.6
[M-H]- 346.974724 143.3
[M+NH4]+ 366.015823 170.0
[M+K]+ 386.945158 164.2
[M+H-H2O]+ 330.979260 145.7
[M+HCOO]- 392.980201 158.0
[M+CH3COO]- 406.995851 209.5
[M+Na-2H]- 368.956666 159.2
[M]+ 347.98145142 136.7
[M]- 347.98254858 136.7
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.