CID 20575561

Heptafluorocyclobutanol

Structural Information

Molecular Formula
C4HF7O
SMILES
C1(C(C(C1(F)F)(F)F)(F)F)(O)F
InChI
InChI=1S/C4HF7O/c5-1(6)2(7,8)4(11,12)3(1,9)10/h12H
InChIKey
LVIUTZNUWNBUCA-UHFFFAOYSA-N
Compound name
1,2,2,3,3,4,4-heptafluorocyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

197.99156 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.99884 129.2
[M+Na]+ 220.98078 141.8
[M-H]- 196.98428 125.6
[M+NH4]+ 216.02538 149.4
[M+K]+ 236.95472 141.7
[M+H-H2O]+ 180.98882 120.5
[M+HCOO]- 242.98976 143.4
[M+CH3COO]- 257.00541 185.0
[M+Na-2H]- 218.96623 135.1
[M]+ 197.99101 129.2
[M]- 197.99211 129.2
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

No patent data available for this compound.