CID 125448919

3,3-difluoro-2,2-dimethylpentanal

Structural Information

Molecular Formula
C7H12F2O
SMILES
CCC(C(C)(C)C=O)(F)F
InChI
InChI=1S/C7H12F2O/c1-4-7(8,9)6(2,3)5-10/h5H,4H2,1-3H3
InChIKey
LQUOEWBLBUEUQL-UHFFFAOYSA-N
Compound name
3,3-difluoro-2,2-dimethylpentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.08562 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.09290 128.9
[M+Na]+ 173.07484 137.1
[M-H]- 149.07834 127.0
[M+NH4]+ 168.11944 150.5
[M+K]+ 189.04878 136.5
[M+H-H2O]+ 133.08288 123.9
[M+HCOO]- 195.08382 147.7
[M+CH3COO]- 209.09947 177.6
[M+Na-2H]- 171.06029 135.9
[M]+ 150.08507 127.9
[M]- 150.08617 127.9
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.