CID 11948530

1,1,1,2,2,3,3-heptafluoropentane

Structural Information

Molecular Formula
C5H5F7
SMILES
CCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C5H5F7/c1-2-3(6,7)4(8,9)5(10,11)12/h2H2,1H3
InChIKey
YLXMZWSVIPOWNY-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluoropentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2488
Patents

198.02795 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.03523 131.9
[M+Na]+ 221.01717 141.1
[M-H]- 197.02067 123.9
[M+NH4]+ 216.06177 150.9
[M+K]+ 236.99111 139.6
[M+H-H2O]+ 181.02521 122.9
[M+HCOO]- 243.02615 143.7
[M+CH3COO]- 257.04180 185.3
[M+Na-2H]- 219.00262 137.4
[M]+ 198.02740 121.7
[M]- 198.02850 121.7
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

patents stripe