CID 83856190

3-(pentafluoroethyl)benzaldehyde

Structural Information

Molecular Formula
C9H5F5O
SMILES
C1=CC(=CC(=C1)C(C(F)(F)F)(F)F)C=O
InChI
InChI=1S/C9H5F5O/c10-8(11,9(12,13)14)7-3-1-2-6(4-7)5-15/h1-5H
InChIKey
GRROUARZJYMBFH-UHFFFAOYSA-N
Compound name
3-(1,1,2,2,2-pentafluoroethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

224.02606 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03334 158.3
[M+Na]+ 247.01528 165.0
[M+NH4]+ 242.05988 161.7
[M+K]+ 262.98922 160.3
[M-H]- 223.01878 152.5
[M+Na-2H]- 245.00073 160.4
[M]+ 224.02551 157.3
[M]- 224.02661 157.3
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