CID 118804

4-(1,1,2,2-tetrafluoroethoxy)benzaldehyde

Structural Information

Molecular Formula
C9H6F4O2
SMILES
C1=CC(=CC=C1C=O)OC(C(F)F)(F)F
InChI
InChI=1S/C9H6F4O2/c10-8(11)9(12,13)15-7-3-1-6(5-14)2-4-7/h1-5,8H
InChIKey
ZTBIQWAGWYPSHC-UHFFFAOYSA-N
Compound name
4-(1,1,2,2-tetrafluoroethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

409
Patents

222.0304 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03768 152.4
[M+Na]+ 245.01962 160.1
[M+NH4]+ 240.06422 156.6
[M+K]+ 260.99356 155.4
[M-H]- 221.02312 147.6
[M+Na-2H]- 243.00507 155.2
[M]+ 222.02985 151.7
[M]- 222.03095 151.7
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