CID 2776688

4,5,5,5-tetrafluoro-4-(heptafluoropropoxy)pentan-1-ol

Structural Information

Molecular Formula
C8H7F11O2
SMILES
C(CC(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)CO
InChI
InChI=1S/C8H7F11O2/c9-4(2-1-3-20,6(12,13)14)21-8(18,19)5(10,11)7(15,16)17/h20H,1-3H2
InChIKey
UDRGWQXICZMATL-UHFFFAOYSA-N
Compound name
4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

344.02704 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.03432 164.2
[M+Na]+ 367.01626 172.6
[M-H]- 343.01976 150.3
[M+NH4]+ 362.06086 176.1
[M+K]+ 382.99020 169.8
[M+H-H2O]+ 327.02430 152.0
[M+HCOO]- 389.02524 166.8
[M+CH3COO]- 403.04089 207.8
[M+Na-2H]- 365.00171 167.6
[M]+ 344.02649 148.7
[M]- 344.02759 148.7
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