CID 9640

Perfluorocyclohexane

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

3
References

4396
Patents

299.98083 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.98811 132.1
[M+Na]+ 322.97005 148.4
[M-H]- 298.97355 124.7
[M+NH4]+ 318.01465 158.1
[M+K]+ 338.94399 145.2
[M+H-H2O]+ 282.97809 123.5
[M+HCOO]- 344.97903 140.8
[M+CH3COO]- 358.99468 204.3
[M+Na-2H]- 320.95550 136.8
[M]+ 299.98028 117.0
[M]- 299.98138 117.0
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

No patent data available for this compound.