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
(3R,4S)-1,1,2,2,3,4-hexafluorocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

210
Patents

164.00607 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.01335 122.7
[M+Na]+ 186.99529 134.0
[M-H]- 162.99879 120.6
[M+NH4]+ 182.03989 141.3
[M+K]+ 202.96923 134.6
[M+H-H2O]+ 147.00333 111.9
[M+HCOO]- 209.00427 139.1
[M+CH3COO]- 223.01992 182.6
[M+Na-2H]- 184.98074 127.2
[M]+ 164.00552 123.3
[M]- 164.00662 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