CID 121310065

1-[1-(trifluoromethyl)cyclopropyl]ethan-1-ol

Structural Information

Molecular Formula
C6H9F3O
SMILES
CC(C1(CC1)C(F)(F)F)O
InChI
InChI=1S/C6H9F3O/c1-4(10)5(2-3-5)6(7,8)9/h4,10H,2-3H2,1H3
InChIKey
YDGHMPLDQCHQAT-UHFFFAOYSA-N
Compound name
1-[1-(trifluoromethyl)cyclopropyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

154.06055 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.067826 123.0
[M+Na]+ 177.049768 132.5
[M-H]- 153.053274 123.0
[M+NH4]+ 172.094373 140.5
[M+K]+ 193.023708 131.1
[M+H-H2O]+ 137.057810 116.9
[M+HCOO]- 199.058751 140.1
[M+CH3COO]- 213.074401 176.9
[M+Na-2H]- 175.035216 129.4
[M]+ 154.06000142 120.8
[M]- 154.06109858 120.8
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