CID 122456163

1984826-70-1

Structural Information

Molecular Formula
C6H9F3O
SMILES
C1CC1(CCO)C(F)(F)F
InChI
InChI=1S/C6H9F3O/c7-6(8,9)5(1-2-5)3-4-10/h10H,1-4H2
InChIKey
IQUSQNGRCXYILE-UHFFFAOYSA-N
Compound name
2-[1-(trifluoromethyl)cyclopropyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

154.06055 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.067826 123.8
[M+Na]+ 177.049768 133.6
[M-H]- 153.053274 123.8
[M+NH4]+ 172.094373 141.3
[M+K]+ 193.023708 131.8
[M+H-H2O]+ 137.057810 117.5
[M+HCOO]- 199.058751 141.9
[M+CH3COO]- 213.074401 176.1
[M+Na-2H]- 175.035216 131.3
[M]+ 154.06000142 122.2
[M]- 154.06109858 122.2
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

patents stripe