CID 2769663

5,5,6,6,6-pentafluorohexan-1-ol

Structural Information

Molecular Formula
C6H9F5O
SMILES
C(CCO)CC(C(F)(F)F)(F)F
InChI
InChI=1S/C6H9F5O/c7-5(8,6(9,10)11)3-1-2-4-12/h12H,1-4H2
InChIKey
UEKOJSYLWJADHW-UHFFFAOYSA-N
Compound name
5,5,6,6,6-pentafluorohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

192.05736 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06464 135.1
[M+Na]+ 215.04658 143.0
[M-H]- 191.05008 127.7
[M+NH4]+ 210.09118 153.9
[M+K]+ 231.02052 141.0
[M+H-H2O]+ 175.05462 127.3
[M+HCOO]- 237.05556 149.1
[M+CH3COO]- 251.07121 180.8
[M+Na-2H]- 213.03203 140.0
[M]+ 192.05681 128.3
[M]- 192.05791 128.3
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