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

9
Patents

154.06055 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.06783 123.0
[M+Na]+ 177.04977 132.5
[M-H]- 153.05327 123.0
[M+NH4]+ 172.09437 140.5
[M+K]+ 193.02371 131.1
[M+H-H2O]+ 137.05781 116.9
[M+HCOO]- 199.05875 140.1
[M+CH3COO]- 213.07440 176.9
[M+Na-2H]- 175.03522 129.4
[M]+ 154.06000 120.8
[M]- 154.06110 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