CID 13637735

4,4-bis(trifluoromethyl)-5,5,6,6,7,7,7-heptafluoroheptan-1-ol

Structural Information

Molecular Formula
C9H7F13O
SMILES
C(CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F)CO
InChI
InChI=1S/C9H7F13O/c10-5(11,6(12,13)9(20,21)22)4(2-1-3-23,7(14,15)16)8(17,18)19/h23H,1-3H2
InChIKey
BWMXVEIMUXVSEX-UHFFFAOYSA-N
Compound name
5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

378.02893 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.03621 179.2
[M+Na]+ 401.01815 179.2
[M+NH4]+ 396.06275 178.4
[M+K]+ 416.99209 177.9
[M-H]- 377.02165 174.7
[M+Na-2H]- 399.00360 177.4
[M]+ 378.02838 177.8
[M]- 378.02948 177.8
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