CID 59951352

3,3,3-trifluoro-2,2-dimethylpropanal

Structural Information

Molecular Formula
C5H7F3O
SMILES
CC(C)(C=O)C(F)(F)F
InChI
InChI=1S/C5H7F3O/c1-4(2,3-9)5(6,7)8/h3H,1-2H3
InChIKey
WJJZHSXJQPNZOY-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-2,2-dimethylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

140.0449 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05218 134.3
[M+Na]+ 163.03412 141.7
[M+NH4]+ 158.07872 139.6
[M+K]+ 179.00806 137.8
[M-H]- 139.03762 128.5
[M+Na-2H]- 161.01957 136.1
[M]+ 140.04435 133.4
[M]- 140.04545 133.4
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

patents stripe