CID 2778814

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

222.0304 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.037676 139.6
[M+Na]+ 245.019618 148.5
[M-H]- 221.023124 138.2
[M+NH4]+ 240.064223 157.7
[M+K]+ 260.993558 146.2
[M+H-H2O]+ 205.027660 130.7
[M+HCOO]- 267.028601 157.9
[M+CH3COO]- 281.044251 187.9
[M+Na-2H]- 243.005066 144.1
[M]+ 222.02985142 136.1
[M]- 222.03094858 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