CID 13379940

78376-97-3

Structural Information

Molecular Formula
C5H5F3O
SMILES
C1[C@H]([C@@H]1C(F)(F)F)C=O
InChI
InChI=1S/C5H5F3O/c6-5(7,8)4-1-3(4)2-9/h2-4H,1H2/t3-,4+/m0/s1
InChIKey
HUVJEFUEIFDUPF-IUYQGCFVSA-N
Compound name
(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.02925 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.03653 118.0
[M+Na]+ 161.01847 129.0
[M-H]- 137.02197 119.5
[M+NH4]+ 156.06307 135.1
[M+K]+ 176.99241 126.8
[M+H-H2O]+ 121.02651 110.6
[M+HCOO]- 183.02745 138.2
[M+CH3COO]- 197.04310 176.4
[M+Na-2H]- 159.00392 124.7
[M]+ 138.02870 117.0
[M]- 138.02980 117.0
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.