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
3
Annotation Hits

0
References

430
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

No literature data available for this compound.

Patent stripe

patents stripe