CID 137951928

4-(1,1,2,2-tetrafluoro-2-methoxyethyl)benzaldehyde

Structural Information

Molecular Formula
C10H8F4O2
SMILES
COC(C(C1=CC=C(C=C1)C=O)(F)F)(F)F
InChI
InChI=1S/C10H8F4O2/c1-16-10(13,14)9(11,12)8-4-2-7(6-15)3-5-8/h2-6H,1H3
InChIKey
YOINXIXPJMEACS-UHFFFAOYSA-N
Compound name
4-(1,1,2,2-tetrafluoro-2-methoxyethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.04604 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.053316 144.3
[M+Na]+ 259.035258 153.5
[M-H]- 235.038764 143.1
[M+NH4]+ 254.079863 162.1
[M+K]+ 275.009198 150.9
[M+H-H2O]+ 219.043300 135.7
[M+HCOO]- 281.044241 161.7
[M+CH3COO]- 295.059891 190.6
[M+Na-2H]- 257.020706 150.4
[M]+ 236.04549142 141.2
[M]- 236.04658858 141.2
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

No patent data available for this compound.