CID 139815772

2-chloroperfluorohexane

Structural Information

Molecular Formula
C6ClF13
SMILES
C(C(C(C(F)(F)F)(F)Cl)(F)F)(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6ClF13/c7-1(8,5(15,16)17)2(9,10)3(11,12)4(13,14)6(18,19)20
InChIKey
PSXQOUMJAOQVDA-UHFFFAOYSA-N
Compound name
2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

353.9481 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.95538 157.4
[M+Na]+ 376.93732 168.3
[M-H]- 352.94082 144.0
[M+NH4]+ 371.98192 170.2
[M+K]+ 392.91126 163.6
[M+H-H2O]+ 336.94536 145.0
[M+HCOO]- 398.94630 154.4
[M+CH3COO]- 412.96195 211.2
[M+Na-2H]- 374.92277 161.6
[M]+ 353.94755 138.8
[M]- 353.94865 138.8
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