CID 2776097

232587-50-7

Structural Information

Molecular Formula
C10H3F19O
SMILES
C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)O
InChI
InChI=1S/C10H3F19O/c11-2(12,1-30)3(13,8(21,22)23)5(15,16)7(19,20)6(17,18)4(14,9(24,25)26)10(27,28)29/h30H,1H2
InChIKey
ZVOWIXGGKDLFPF-UHFFFAOYSA-N
Compound name
2,2,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3,7-bis(trifluoromethyl)octan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

29
Patents

499.98804 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.99532 159.8
[M+Na]+ 522.97726 159.9
[M+NH4]+ 518.02186 159.8
[M+K]+ 538.95120 160.4
[M-H]- 498.98076 159.2
[M+Na-2H]- 520.96271 160.4
[M]+ 499.98749 159.6
[M]- 499.98859 159.6
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