CID 85853851

4,5-dichloro-1,1,1,2,2,3,3-heptafluoropentane

Structural Information

Molecular Formula
C5H3Cl2F7
SMILES
C(C(C(C(C(F)(F)F)(F)F)(F)F)Cl)Cl
InChI
InChI=1S/C5H3Cl2F7/c6-1-2(7)3(8,9)4(10,11)5(12,13)14/h2H,1H2
InChIKey
PXVLLIXMQNNYBT-UHFFFAOYSA-N
Compound name
4,5-dichloro-1,1,1,2,2,3,3-heptafluoropentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

265.95 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.95728 137.3
[M+Na]+ 288.93922 147.4
[M-H]- 264.94272 129.1
[M+NH4]+ 283.98382 154.9
[M+K]+ 304.91316 142.3
[M+H-H2O]+ 248.94726 129.7
[M+HCOO]- 310.94820 139.4
[M+CH3COO]- 324.96385 194.3
[M+Na-2H]- 286.92467 141.1
[M]+ 265.94945 129.9
[M]- 265.95055 129.9
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.