CID 22002827

1,1,1,2,2,3,3-heptafluorooctane

Structural Information

Molecular Formula
C8H11F7
SMILES
CCCCCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H11F7/c1-2-3-4-5-6(9,10)7(11,12)8(13,14)15/h2-5H2,1H3
InChIKey
ZVUIWLHHBDVANB-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluorooctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

51
Patents

240.07489 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08217 146.2
[M+Na]+ 263.06411 154.3
[M-H]- 239.06761 137.7
[M+NH4]+ 258.10871 163.7
[M+K]+ 279.03805 151.9
[M+H-H2O]+ 223.07215 136.6
[M+HCOO]- 285.07309 157.1
[M+CH3COO]- 299.08874 194.2
[M+Na-2H]- 261.04956 150.1
[M]+ 240.07434 137.2
[M]- 240.07544 137.2
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

patents stripe