CID 58568310

3,3,4,4-tetrafluoropentan-1-ol

Structural Information

Molecular Formula
C5H8F4O
SMILES
CC(C(CCO)(F)F)(F)F
InChI
InChI=1S/C5H8F4O/c1-4(6,7)5(8,9)2-3-10/h10H,2-3H2,1H3
InChIKey
VCMKSUIGXVJIPG-UHFFFAOYSA-N
Compound name
3,3,4,4-tetrafluoropentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

160.05113 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05841 127.5
[M+Na]+ 183.04035 135.7
[M-H]- 159.04385 121.6
[M+NH4]+ 178.08495 147.6
[M+K]+ 199.01429 134.4
[M+H-H2O]+ 143.04839 120.8
[M+HCOO]- 205.04933 142.9
[M+CH3COO]- 219.06498 175.5
[M+Na-2H]- 181.02580 133.6
[M]+ 160.05058 121.7
[M]- 160.05168 121.7
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