CID 137949874

3-(2,2,3,3-tetrafluorocyclobutyl)benzaldehyde

Structural Information

Molecular Formula
C11H8F4O
SMILES
C1C(C(C1(F)F)(F)F)C2=CC=CC(=C2)C=O
InChI
InChI=1S/C11H8F4O/c12-10(13)5-9(11(10,14)15)8-3-1-2-7(4-8)6-16/h1-4,6,9H,5H2
InChIKey
WZVHSCDTMZRWQJ-UHFFFAOYSA-N
Compound name
3-(2,2,3,3-tetrafluorocyclobutyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.05113 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05841 143.9
[M+Na]+ 255.04035 154.3
[M-H]- 231.04385 146.8
[M+NH4]+ 250.08495 159.8
[M+K]+ 271.01429 153.2
[M+H-H2O]+ 215.04839 131.9
[M+HCOO]- 277.04933 162.4
[M+CH3COO]- 291.06498 193.5
[M+Na-2H]- 253.02580 148.3
[M]+ 232.05058 148.3
[M]- 232.05168 148.3
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.