CID 2778245

Cis-1,1,2,2,3,4-hexafluorocyclobutane

Structural Information

Molecular Formula
C4H2F6
SMILES
[C@H]1([C@@H](C(C1(F)F)(F)F)F)F
InChI
InChI=1S/C4H2F6/c5-1-2(6)4(9,10)3(1,7)8/h1-2H/t1-,2+
InChIKey
LMSLTAIWOIYSGZ-XIXRPRMCSA-N
Compound name
cis-(3S,4R)-1,1,2,2,3,4-hexafluorocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

164.00607 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.013346 122.7
[M+Na]+ 186.995288 134.0
[M-H]- 162.998794 120.6
[M+NH4]+ 182.039893 141.3
[M+K]+ 202.969228 134.6
[M+H-H2O]+ 147.003330 111.9
[M+HCOO]- 209.004271 139.1
[M+CH3COO]- 223.019921 182.6
[M+Na-2H]- 184.980736 127.2
[M]+ 164.00552142 123.3
[M]- 164.00661858 123.3
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