CID 118803

3-(1,1,2,2-tetrafluoroethoxy)benzaldehyde

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

192
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 139.6
[M+Na]+ 245.01962 148.5
[M-H]- 221.02312 138.2
[M+NH4]+ 240.06422 157.7
[M+K]+ 260.99356 146.2
[M+H-H2O]+ 205.02766 130.7
[M+HCOO]- 267.02860 157.9
[M+CH3COO]- 281.04425 187.9
[M+Na-2H]- 243.00507 144.1
[M]+ 222.02985 136.1
[M]- 222.03095 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe