CID 2736633

Chloroperfluorocyclohexane

Structural Information

Molecular Formula
C6ClF11
SMILES
C1(C(C(C(C(C1(F)F)(F)F)(F)Cl)(F)F)(F)F)(F)F
InChI
InChI=1S/C6ClF11/c7-1(8)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12
InChIKey
KGZKBHYAEBRMAR-UHFFFAOYSA-N
Compound name
1-chloro-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

315.9513 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.95858 127.1
[M+Na]+ 338.94052 144.0
[M-H]- 314.94402 120.7
[M+NH4]+ 333.98512 153.6
[M+K]+ 354.91446 139.3
[M+H-H2O]+ 298.94856 120.4
[M+HCOO]- 360.94950 133.3
[M+CH3COO]- 374.96515 204.8
[M+Na-2H]- 336.92597 132.8
[M]+ 315.95075 115.4
[M]- 315.95185 115.4
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