CID 3020926

2,3-dichloro-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane

Structural Information

Molecular Formula
C6Cl2F12
SMILES
C(C(C(C(F)(F)F)(F)Cl)(F)Cl)(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C6Cl2F12/c7-2(10,3(8,11)6(18,19)20)1(9,4(12,13)14)5(15,16)17
InChIKey
DAKPRHAAVFWCOZ-UHFFFAOYSA-N
Compound name
2,3-dichloro-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.91855 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.92583 156.3
[M+Na]+ 392.90777 167.5
[M-H]- 368.91127 143.9
[M+NH4]+ 387.95237 169.3
[M+K]+ 408.88171 161.6
[M+H-H2O]+ 352.91581 145.2
[M+HCOO]- 414.91675 150.1
[M+CH3COO]- 428.93240 211.6
[M+Na-2H]- 390.89322 160.8
[M]+ 369.91800 140.7
[M]- 369.91910 140.7
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.