CID 12541675

2,2,3-trifluoro-3-(heptafluoropropoxy)propan-1-ol

Structural Information

Molecular Formula
C6H4F10O2
SMILES
C(C(C(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)O
InChI
InChI=1S/C6H4F10O2/c7-2(3(8,9)1-17)18-6(15,16)4(10,11)5(12,13)14/h2,17H,1H2
InChIKey
PUKKRYWSWBRAIN-UHFFFAOYSA-N
Compound name
2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

51
Patents

298.00516 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.01244 150.7
[M+Na]+ 320.99438 159.3
[M-H]- 296.99788 137.9
[M+NH4]+ 316.03898 164.5
[M+K]+ 336.96832 157.3
[M+H-H2O]+ 281.00242 139.4
[M+HCOO]- 343.00336 155.6
[M+CH3COO]- 357.01901 199.8
[M+Na-2H]- 318.97983 153.6
[M]+ 298.00461 136.2
[M]- 298.00571 136.2
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