CID 4407544

127256-73-9

Structural Information

Molecular Formula
C4H2F8O
SMILES
C(C(C(F)(F)F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C4H2F8O/c5-2(6,4(10,11)12)1(13)3(7,8)9/h1,13H
InChIKey
ZVXAXABPTOPGDK-UHFFFAOYSA-N
Compound name
1,1,1,3,3,4,4,4-octafluorobutan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

173
Patents

217.99779 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.005066 133.0
[M+Na]+ 240.987008 142.1
[M-H]- 216.990514 122.6
[M+NH4]+ 236.031613 150.3
[M+K]+ 256.960948 140.3
[M+H-H2O]+ 200.995050 123.4
[M+HCOO]- 262.995991 141.9
[M+CH3COO]- 277.011641 184.7
[M+Na-2H]- 238.972456 136.9
[M]+ 217.99724142 119.8
[M]- 217.99833858 119.8
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