CID 89875063

1-(trifluoromethyl)cyclopropan-1-ol

Structural Information

Molecular Formula
C4H5F3O
SMILES
C1CC1(C(F)(F)F)O
InChI
InChI=1S/C4H5F3O/c5-4(6,7)3(8)1-2-3/h8H,1-2H2
InChIKey
ZQZIYSHMRFHPKW-UHFFFAOYSA-N
Compound name
1-(trifluoromethyl)cyclopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

126.02925 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.03653 132.3
[M+Na]+ 149.01847 140.3
[M+NH4]+ 144.06307 139.7
[M+K]+ 164.99241 136.6
[M-H]- 125.02197 134.4
[M+Na-2H]- 147.00392 138.4
[M]+ 126.02870 134.8
[M]- 126.02980 134.8
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