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]+ 155.06783 127.2
[M+Na]+ 177.04977 135.9
[M-H]- 153.05327 124.1
[M+NH4]+ 172.09437 148.6
[M+K]+ 193.02371 135.1
[M+H-H2O]+ 137.05781 121.4
[M+HCOO]- 199.05875 145.2
[M+CH3COO]- 213.07440 176.7
[M+Na-2H]- 175.03522 134.1
[M]+ 154.06000 124.4
[M]- 154.06110 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.