CID 146049526

2411307-71-4

Structural Information

Molecular Formula
C8H8F2O
SMILES
C1C2CC3C1C3(C2(F)F)C=O
InChI
InChI=1S/C8H8F2O/c9-8(10)4-1-5-6(2-4)7(5,8)3-11/h3-6H,1-2H2
InChIKey
JKUVZIXMJMVDJU-UHFFFAOYSA-N
Compound name
7,7-difluorotricyclo[2.2.1.02,6]heptane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.05432 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06160 125.7
[M+Na]+ 181.04354 138.1
[M-H]- 157.04704 126.6
[M+NH4]+ 176.08814 154.4
[M+K]+ 197.01748 133.4
[M+H-H2O]+ 141.05158 122.4
[M+HCOO]- 203.05252 141.7
[M+CH3COO]- 217.06817 139.8
[M+Na-2H]- 179.02899 133.1
[M]+ 158.05377 132.2
[M]- 158.05487 132.2
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.