CID 15507523

1,1-bis(trifluoromethyl)-cyclobutane

Structural Information

Molecular Formula
C6H6F6
SMILES
C1CC(C1)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C6H6F6/c7-5(8,9)4(2-1-3-4)6(10,11)12/h1-3H2
InChIKey
FTEQKPHQBGGWFL-UHFFFAOYSA-N
Compound name
1,1-bis(trifluoromethyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1185
Patents

192.03737 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04465 166.9
[M+Na]+ 215.02659 168.3
[M+NH4]+ 210.07119 168.0
[M+K]+ 231.00053 163.9
[M-H]- 191.03009 158.5
[M+Na-2H]- 213.01204 165.7
[M]+ 192.03682 163.7
[M]- 192.03792 163.7
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