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

27
Patents

126.02925 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.036526 115.2
[M+Na]+ 149.018468 125.8
[M-H]- 125.021974 115.5
[M+NH4]+ 144.063073 133.8
[M+K]+ 164.992408 124.5
[M+H-H2O]+ 109.026510 109.3
[M+HCOO]- 171.027451 133.9
[M+CH3COO]- 185.043101 170.3
[M+Na-2H]- 147.003916 123.8
[M]+ 126.02870142 112.9
[M]- 126.02979858 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