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]+ 198.998836 129.2
[M+Na]+ 220.980778 141.8
[M-H]- 196.984284 125.6
[M+NH4]+ 216.025383 149.4
[M+K]+ 236.954718 141.7
[M+H-H2O]+ 180.988820 120.5
[M+HCOO]- 242.989761 143.4
[M+CH3COO]- 257.005411 185.0
[M+Na-2H]- 218.966226 135.1
[M]+ 197.99101142 129.2
[M]- 197.99210858 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

literature stripe

Patent stripe

patents stripe