CID 36945

34844-09-2

Structural Information

Molecular Formula
C10H14F6O2
SMILES
CCCCCC(C=O)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C10H14F6O2/c1-2-3-4-5-7(6-17)8(18,9(11,12)13)10(14,15)16/h6-7,18H,2-5H2,1H3
InChIKey
LAGMUDQEYWWRCU-UHFFFAOYSA-N
Compound name
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)heptanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.0898 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09708 157.0
[M+Na]+ 303.07902 163.8
[M-H]- 279.08252 148.0
[M+NH4]+ 298.12362 172.1
[M+K]+ 319.05296 161.3
[M+H-H2O]+ 263.08706 148.1
[M+HCOO]- 325.08800 166.6
[M+CH3COO]- 339.10365 197.3
[M+Na-2H]- 301.06447 159.2
[M]+ 280.08925 149.6
[M]- 280.09035 149.6
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.