CID 11035876

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-ol

Structural Information

Molecular Formula
C8H5F13O
SMILES
CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C8H5F13O/c1-2(22)3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h2,22H,1H3
InChIKey
HYSSZDTUULNWLC-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

389
Patents

364.01328 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.020556 165.4
[M+Na]+ 387.002498 174.1
[M-H]- 363.006004 150.2
[M+NH4]+ 382.047103 176.2
[M+K]+ 402.976438 171.2
[M+H-H2O]+ 347.010540 152.6
[M+HCOO]- 409.011481 163.6
[M+CH3COO]- 423.027131 213.9
[M+Na-2H]- 384.987946 167.7
[M]+ 364.01273142 144.3
[M]- 364.01382858 144.3
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