CID 131335536

3-(trifluoromethyl)cyclobutane-1-carbaldehyde

Structural Information

Molecular Formula
C6H7F3O
SMILES
C1C(CC1C(F)(F)F)C=O
InChI
InChI=1S/C6H7F3O/c7-6(8,9)5-1-4(2-5)3-10/h3-5H,1-2H2
InChIKey
AHPTZVMFIUSJTA-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)cyclobutane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

152.0449 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.052176 124.8
[M+Na]+ 175.034118 132.3
[M-H]- 151.037624 124.9
[M+NH4]+ 170.078723 139.7
[M+K]+ 191.008058 133.9
[M+H-H2O]+ 135.042160 113.5
[M+HCOO]- 197.043101 142.7
[M+CH3COO]- 211.058751 178.9
[M+Na-2H]- 173.019566 129.9
[M]+ 152.04435142 128.8
[M]- 152.04544858 128.8
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