CID 122163203

2-ethyl-2-(trifluoromethyl)butan-1-ol

Structural Information

Molecular Formula
C7H13F3O
SMILES
CCC(CC)(CO)C(F)(F)F
InChI
InChI=1S/C7H13F3O/c1-3-6(4-2,5-11)7(8,9)10/h11H,3-5H2,1-2H3
InChIKey
GFYKMMXMUVFSDE-UHFFFAOYSA-N
Compound name
2-ethyl-2-(trifluoromethyl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.09184 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.09912 134.4
[M+Na]+ 193.08106 141.9
[M-H]- 169.08456 129.6
[M+NH4]+ 188.12566 154.5
[M+K]+ 209.05500 140.5
[M+H-H2O]+ 153.08910 128.5
[M+HCOO]- 215.09004 150.3
[M+CH3COO]- 229.10569 178.0
[M+Na-2H]- 191.06651 140.1
[M]+ 170.09129 130.7
[M]- 170.09239 130.7
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.