CID 165798871

Rac-(1r,2r)-2-(trifluoromethyl)cyclobutane-1-carbaldehyde

Structural Information

Molecular Formula
C6H7F3O
SMILES
C1C[C@H]([C@@H]1C=O)C(F)(F)F
InChI
InChI=1S/C6H7F3O/c7-6(8,9)5-2-1-4(5)3-10/h3-5H,1-2H2/t4-,5+/m0/s1
InChIKey
RBXNIUAGMGUJRC-CRCLSJGQSA-N
Compound name
(1R,2R)-2-(trifluoromethyl)cyclobutane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.0449 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05218 124.8
[M+Na]+ 175.03412 132.3
[M-H]- 151.03762 124.9
[M+NH4]+ 170.07872 139.7
[M+K]+ 191.00806 133.9
[M+H-H2O]+ 135.04216 113.5
[M+HCOO]- 197.04310 142.7
[M+CH3COO]- 211.05875 178.9
[M+Na-2H]- 173.01957 129.9
[M]+ 152.04435 128.8
[M]- 152.04545 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

No patent data available for this compound.