CID 4407544

1,1,1,3,3,4,4,4-octafluoro-2-butanol

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

172
Patents

217.99779 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.00507 133.0
[M+Na]+ 240.98701 142.1
[M-H]- 216.99051 122.6
[M+NH4]+ 236.03161 150.3
[M+K]+ 256.96095 140.3
[M+H-H2O]+ 200.99505 123.4
[M+HCOO]- 262.99599 141.9
[M+CH3COO]- 277.01164 184.7
[M+Na-2H]- 238.97246 136.9
[M]+ 217.99724 119.8
[M]- 217.99834 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