CID 59081

101913-68-2

Structural Information

Molecular Formula
C8H11ClF6O2
SMILES
C(CC(CC(C(F)(F)F)(C(F)(F)F)O)O)CCl
InChI
InChI=1S/C8H11ClF6O2/c9-3-1-2-5(16)4-6(17,7(10,11)12)8(13,14)15/h5,16-17H,1-4H2
InChIKey
PJCDWTGBDBTSLG-UHFFFAOYSA-N
Compound name
7-chloro-1,1,1-trifluoro-2-(trifluoromethyl)heptane-2,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.0352 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.04248 151.9
[M+Na]+ 311.02442 159.6
[M-H]- 287.02792 142.0
[M+NH4]+ 306.06902 167.0
[M+K]+ 326.99836 155.1
[M+H-H2O]+ 271.03246 144.4
[M+HCOO]- 333.03340 156.3
[M+CH3COO]- 347.04905 193.5
[M+Na-2H]- 309.00987 154.6
[M]+ 288.03465 144.7
[M]- 288.03575 144.7
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.