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

91
Patents

236.04604 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.05332 144.4
[M+Na]+ 259.03526 152.9
[M-H]- 235.03876 142.9
[M+NH4]+ 254.07986 162.0
[M+K]+ 275.00920 150.3
[M+H-H2O]+ 219.04330 135.3
[M+HCOO]- 281.04424 162.4
[M+CH3COO]- 295.05989 190.9
[M+Na-2H]- 257.02071 148.4
[M]+ 236.04549 141.3
[M]- 236.04659 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