CID 122240274

4,4,4-trifluoro-2,2-dimethylbutanal

Structural Information

Molecular Formula
C6H9F3O
SMILES
CC(C)(CC(F)(F)F)C=O
InChI
InChI=1S/C6H9F3O/c1-5(2,4-10)3-6(7,8)9/h4H,3H2,1-2H3
InChIKey
PRHRHMDZYSIYPL-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-2,2-dimethylbutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.06055 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.067826 127.2
[M+Na]+ 177.049768 135.9
[M-H]- 153.053274 124.1
[M+NH4]+ 172.094373 148.6
[M+K]+ 193.023708 135.1
[M+H-H2O]+ 137.057810 121.4
[M+HCOO]- 199.058751 145.2
[M+CH3COO]- 213.074401 176.7
[M+Na-2H]- 175.035216 134.1
[M]+ 154.06000142 124.4
[M]- 154.06109858 124.4
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.