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
3
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 163.7
[M+Na]+ 522.97726 168.4
[M-H]- 498.98076 170.6
[M+NH4]+ 518.02186 171.6
[M+K]+ 538.95120 177.4
[M+H-H2O]+ 482.98530 151.9
[M+HCOO]- 544.98624 183.4
[M+CH3COO]- 559.00189 235.1
[M+Na-2H]- 520.96271 163.7
[M]+ 499.98749 161.9
[M]- 499.98859 161.9
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