CID 6409

2,2,2-trifluoroethanol

Structural Information

Molecular Formula
C2H3F3O
SMILES
C(C(F)(F)F)O
InChI
InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2
InChIKey
RHQDFWAXVIIEBN-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethanol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1593
References

108086
Patents

100.013596 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.02087 111.1
[M+Na]+ 123.00281 120.2
[M-H]- 99.006320 106.8
[M+NH4]+ 118.04742 133.8
[M+K]+ 138.97675 119.8
[M+H-H2O]+ 83.010856 105.5
[M+HCOO]- 145.01180 130.2
[M+CH3COO]- 159.02745 162.4
[M+Na-2H]- 120.98826 118.8
[M]+ 100.01305 106.1
[M]- 100.01414 106.1
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

No patent data available for this compound.