CID 84647788

3,3-difluoro-2,2-dimethylpropanal

Structural Information

Molecular Formula
C5H8F2O
SMILES
CC(C)(C=O)C(F)F
InChI
InChI=1S/C5H8F2O/c1-5(2,3-8)4(6)7/h3-4H,1-2H3
InChIKey
WVEOZPUYGLCVIR-UHFFFAOYSA-N
Compound name
3,3-difluoro-2,2-dimethylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

122.05432 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.06160 120.0
[M+Na]+ 145.04354 128.3
[M-H]- 121.04704 118.2
[M+NH4]+ 140.08814 142.5
[M+K]+ 161.01748 128.3
[M+H-H2O]+ 105.05158 114.8
[M+HCOO]- 167.05252 140.0
[M+CH3COO]- 181.06817 171.9
[M+Na-2H]- 143.02899 126.0
[M]+ 122.05377 118.1
[M]- 122.05487 118.1
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

patents stripe