CID 57445186

1229311-61-8

Structural Information

Molecular Formula
C5H5F3O
SMILES
C1CC1(C=O)C(F)(F)F
InChI
InChI=1S/C5H5F3O/c6-5(7,8)4(3-9)1-2-4/h3H,1-2H2
InChIKey
QUWHGSSMZMPEGW-UHFFFAOYSA-N
Compound name
1-(trifluoromethyl)cyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

242
Patents

138.02925 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.03653 119.3
[M+Na]+ 161.01847 130.1
[M-H]- 137.02197 120.8
[M+NH4]+ 156.06307 138.0
[M+K]+ 176.99241 128.9
[M+H-H2O]+ 121.02651 112.9
[M+HCOO]- 183.02745 139.3
[M+CH3COO]- 197.04310 174.9
[M+Na-2H]- 159.00392 127.7
[M]+ 138.02870 118.4
[M]- 138.02980 118.4
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