CID 94346

Cyclobutane, 1,1,2,3,3,4-hexafluoro-2,4-bis(trifluoromethyl)-

Structural Information

Molecular Formula
C6F12
SMILES
C1(C(C(C1(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C6F12/c7-1(5(13,14)15)3(9,10)2(8,4(1,11)12)6(16,17)18
InChIKey
WEQNAYAFSPIONP-UHFFFAOYSA-N
Compound name
1,1,2,3,3,4-hexafluoro-2,4-bis(trifluoromethyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

138
Patents

299.98083 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.98811 154.3
[M+Na]+ 322.97005 167.7
[M-H]- 298.97355 146.5
[M+NH4]+ 318.01465 170.7
[M+K]+ 338.94399 166.4
[M+H-H2O]+ 282.97809 142.5
[M+HCOO]- 344.97903 160.9
[M+CH3COO]- 358.99468 205.3
[M+Na-2H]- 320.95550 157.8
[M]+ 299.98028 146.8
[M]- 299.98138 146.8
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