CID 2736058

120674-92-2

Structural Information

Molecular Formula
C12F26Hg
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)[Hg]C(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/2C6F13.Hg/c2*7-2(8,5(15,16)6(17,18)19)1(3(9,10)11)4(12,13)14;
InChIKey
NPLOLZJLEABUQT-UHFFFAOYSA-N
Compound name
bis[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]mercury
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

839.92914 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 840.93642 222.0
[M+Na]+ 862.91836 226.4
[M-H]- 838.92186 231.8
[M+NH4]+ 857.96296 233.5
[M+K]+ 878.89230 239.7
[M+H-H2O]+ 822.92640 208.6
[M+HCOO]- 884.92734 239.9
[M+CH3COO]- 898.94299 260.5
[M+Na-2H]- 860.90381 220.8
[M]+ 839.92859 216.6
[M]- 839.92969 216.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.