CID 101666

2,2,3,3-tetrafluorocyclobutanemethanol

Structural Information

Molecular Formula
C5H6F4O
SMILES
C1C(C(C1(F)F)(F)F)CO
InChI
InChI=1S/C5H6F4O/c6-4(7)1-3(2-10)5(4,8)9/h3,10H,1-2H2
InChIKey
DIXNZPIYNXRZEQ-UHFFFAOYSA-N
Compound name
(2,2,3,3-tetrafluorocyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

25
Patents

158.03548 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.042756 126.2
[M+Na]+ 181.024698 135.6
[M-H]- 157.028204 124.7
[M+NH4]+ 176.069303 144.2
[M+K]+ 196.998638 136.3
[M+H-H2O]+ 141.032740 116.6
[M+HCOO]- 203.033681 143.2
[M+CH3COO]- 217.049331 177.9
[M+Na-2H]- 179.010146 131.5
[M]+ 158.03493142 129.0
[M]- 158.03602858 129.0
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