CID 166000414

3-(3,3-difluorocyclobutyl)-2-methylpropanal

Structural Information

Molecular Formula
C8H12F2O
SMILES
CC(CC1CC(C1)(F)F)C=O
InChI
InChI=1S/C8H12F2O/c1-6(5-11)2-7-3-8(9,10)4-7/h5-7H,2-4H2,1H3
InChIKey
CDKIUOIACZLINM-UHFFFAOYSA-N
Compound name
3-(3,3-difluorocyclobutyl)-2-methylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.08562 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09290 132.9
[M+Na]+ 185.07484 139.6
[M-H]- 161.07834 134.2
[M+NH4]+ 180.11944 149.3
[M+K]+ 201.04878 141.3
[M+H-H2O]+ 145.08288 122.9
[M+HCOO]- 207.08382 151.7
[M+CH3COO]- 221.09947 182.7
[M+Na-2H]- 183.06029 136.7
[M]+ 162.08507 139.1
[M]- 162.08617 139.1
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

No patent data available for this compound.