CID 2769657

5,5,6,6,7,7,7-heptafluoroheptan-1-ol

Structural Information

Molecular Formula
C7H9F7O
SMILES
C(CCO)CC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H9F7O/c8-5(9,3-1-2-4-15)6(10,11)7(12,13)14/h15H,1-4H2
InChIKey
ZATDVKHJLFLLDD-UHFFFAOYSA-N
Compound name
5,5,6,6,7,7,7-heptafluoroheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

242.05417 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06145 145.0
[M+Na]+ 265.04339 153.0
[M-H]- 241.04689 135.2
[M+NH4]+ 260.08799 161.6
[M+K]+ 281.01733 150.4
[M+H-H2O]+ 225.05143 135.6
[M+HCOO]- 287.05237 155.0
[M+CH3COO]- 301.06802 190.4
[M+Na-2H]- 263.02884 149.1
[M]+ 242.05362 135.1
[M]- 242.05472 135.1
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