CID 130655349

3-(3,3-difluorocyclobutyl)-2,2-dimethylpropanal

Structural Information

Molecular Formula
C9H14F2O
SMILES
CC(C)(CC1CC(C1)(F)F)C=O
InChI
InChI=1S/C9H14F2O/c1-8(2,6-12)3-7-4-9(10,11)5-7/h6-7H,3-5H2,1-2H3
InChIKey
ORSKSECPCWEEQR-UHFFFAOYSA-N
Compound name
3-(3,3-difluorocyclobutyl)-2,2-dimethylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.10127 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10855 136.5
[M+Na]+ 199.09049 143.6
[M-H]- 175.09399 137.9
[M+NH4]+ 194.13509 152.6
[M+K]+ 215.06443 144.9
[M+H-H2O]+ 159.09853 127.0
[M+HCOO]- 221.09947 154.6
[M+CH3COO]- 235.11512 185.2
[M+Na-2H]- 197.07594 141.8
[M]+ 176.10072 143.2
[M]- 176.10182 143.2
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.