CID 57445153

1-(2,2,2-trifluoroethyl)cyclopropan-1-ol

Structural Information

Molecular Formula
C5H7F3O
SMILES
C1CC1(CC(F)(F)F)O
InChI
InChI=1S/C5H7F3O/c6-5(7,8)3-4(9)1-2-4/h9H,1-3H2
InChIKey
KRVMZDAAXUIYJP-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroethyl)cyclopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

140.0449 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05218 119.5
[M+Na]+ 163.03412 129.7
[M-H]- 139.03762 119.7
[M+NH4]+ 158.07872 137.6
[M+K]+ 179.00806 128.1
[M+H-H2O]+ 123.04216 113.4
[M+HCOO]- 185.04310 137.9
[M+CH3COO]- 199.05875 173.2
[M+Na-2H]- 161.01957 127.6
[M]+ 140.04435 117.6
[M]- 140.04545 117.6
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