CID 215052

34844-37-6

Structural Information

Molecular Formula
C8H10ClF5O2
SMILES
C1CC(C(C1)O)C(C(F)(F)F)(C(F)(F)Cl)O
InChI
InChI=1S/C8H10ClF5O2/c9-7(10,11)6(16,8(12,13)14)4-2-1-3-5(4)15/h4-5,15-16H,1-3H2
InChIKey
AEHYTZPKIMCIQA-UHFFFAOYSA-N
Compound name
2-(1-chloro-1,1,3,3,3-pentafluoro-2-hydroxypropan-2-yl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.02896 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.03624 149.0
[M+Na]+ 291.01818 156.9
[M-H]- 267.02168 143.5
[M+NH4]+ 286.06278 166.6
[M+K]+ 306.99212 152.3
[M+H-H2O]+ 251.02622 142.3
[M+HCOO]- 313.02716 154.6
[M+CH3COO]- 327.04281 187.8
[M+Na-2H]- 289.00363 151.7
[M]+ 268.02841 139.9
[M]- 268.02951 139.9
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.