CID 215056

34844-47-8

Structural Information

Molecular Formula
C10H16F6O2
SMILES
CCCCCC(CO)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C10H16F6O2/c1-2-3-4-5-7(6-17)8(18,9(11,12)13)10(14,15)16/h7,17-18H,2-6H2,1H3
InChIKey
QJDIZDFXELTMDN-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-2-pentyl-3-(trifluoromethyl)butane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.10544 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11272 158.8
[M+Na]+ 305.09466 164.9
[M-H]- 281.09816 148.4
[M+NH4]+ 300.13926 173.3
[M+K]+ 321.06860 162.1
[M+H-H2O]+ 265.10270 150.1
[M+HCOO]- 327.10364 166.7
[M+CH3COO]- 341.11929 195.7
[M+Na-2H]- 303.08011 160.5
[M]+ 282.10489 150.3
[M]- 282.10599 150.3
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.