CID 21071449

3-(2,2,3,3-tetrafluoropropoxy)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

86
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 156.3
[M+Na]+ 259.03526 163.8
[M+NH4]+ 254.07986 160.4
[M+K]+ 275.00920 159.0
[M-H]- 235.03876 151.5
[M+Na-2H]- 257.02071 158.9
[M]+ 236.04549 155.6
[M]- 236.04659 155.6
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