CID 14620145

Perfluorobutanol

Structural Information

Molecular Formula
C4HF9O
SMILES
C(C(C(F)(F)F)(F)F)(C(O)(F)F)(F)F
InChI
InChI=1S/C4HF9O/c5-1(6,3(9,10)11)2(7,8)4(12,13)14/h14H
InChIKey
QXJCOPITNGTALI-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4-nonafluorobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2472
Patents

235.98837 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.99565 177.8
[M+Na]+ 258.97759 178.8
[M+NH4]+ 254.02219 177.4
[M+K]+ 274.95153 176.4
[M-H]- 234.98109 169.5
[M+Na-2H]- 256.96304 174.9
[M]+ 235.98782 175.2
[M]- 235.98892 175.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe