CID 71442100

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methylcyclohexan-1-ol

Structural Information

Molecular Formula
C10H13F7O
SMILES
CC1CCC(C(C1)O)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C10H13F7O/c1-5-2-3-6(7(18)4-5)8(11,9(12,13)14)10(15,16)17/h5-7,18H,2-4H2,1H3
InChIKey
RYMFLNQDHZXPER-UHFFFAOYSA-N
Compound name
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

282.08545 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09273 156.7
[M+Na]+ 305.07467 163.8
[M-H]- 281.07817 149.7
[M+NH4]+ 300.11927 171.8
[M+K]+ 321.04861 160.4
[M+H-H2O]+ 265.08271 146.8
[M+HCOO]- 327.08365 163.0
[M+CH3COO]- 341.09930 197.3
[M+Na-2H]- 303.06012 157.7
[M]+ 282.08490 142.2
[M]- 282.08600 142.2
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.