CID 2782607

78693-85-3

Structural Information

Molecular Formula
C8H3F15O2
SMILES
C(C(C(F)(F)F)(OC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F)O
InChI
InChI=1S/C8H3F15O2/c9-2(1-24,6(16,17)18)25-8(22,23)5(14,15)3(10,11)4(12,13)7(19,20)21/h24H,1H2
InChIKey
XKYXNXAJMRFZSX-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentoxy)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

415.98935 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.99663 177.5
[M+Na]+ 438.97857 186.7
[M-H]- 414.98207 153.9
[M+NH4]+ 434.02317 155.7
[M+K]+ 454.95251 183.7
[M+H-H2O]+ 398.98661 163.4
[M+HCOO]- 460.98755 170.0
[M+CH3COO]- 475.00320 220.7
[M+Na-2H]- 436.96402 180.9
[M]+ 415.98880 148.1
[M]- 415.98990 148.1
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