CID 21071449

3-(2,2,3,3-tetrafluoro-propoxy)-benzaldehyde

Structural Information

Molecular Formula
C10H8F4O2
SMILES
C1=CC(=CC(=C1)OCC(C(F)F)(F)F)C=O
InChI
InChI=1S/C10H8F4O2/c11-9(12)10(13,14)6-16-8-3-1-2-7(4-8)5-15/h1-5,9H,6H2
InChIKey
NXXGZNXPUZNCGV-UHFFFAOYSA-N
Compound name
3-(2,2,3,3-tetrafluoropropoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

236.04604 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.053316 144.4
[M+Na]+ 259.035258 152.9
[M-H]- 235.038764 142.9
[M+NH4]+ 254.079863 162.0
[M+K]+ 275.009198 150.3
[M+H-H2O]+ 219.043300 135.3
[M+HCOO]- 281.044241 162.4
[M+CH3COO]- 295.059891 190.9
[M+Na-2H]- 257.020706 148.4
[M]+ 236.04549142 141.3
[M]- 236.04658858 141.3
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