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

28
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 115.2
[M+Na]+ 149.01847 125.8
[M-H]- 125.02197 115.5
[M+NH4]+ 144.06307 133.8
[M+K]+ 164.99241 124.5
[M+H-H2O]+ 109.02651 109.3
[M+HCOO]- 171.02745 133.9
[M+CH3COO]- 185.04310 170.3
[M+Na-2H]- 147.00392 123.8
[M]+ 126.02870 112.9
[M]- 126.02980 112.9
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