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]+ 348.98928 158.7
[M+Na]+ 370.97122 167.6
[M-H]- 346.97472 143.3
[M+NH4]+ 366.01582 170.0
[M+K]+ 386.94516 164.2
[M+H-H2O]+ 330.97926 145.7
[M+HCOO]- 392.98020 158.0
[M+CH3COO]- 406.99585 209.5
[M+Na-2H]- 368.95667 159.2
[M]+ 347.98145 136.7
[M]- 347.98255 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.