CID 98706

35444-16-7

Structural Information

Molecular Formula
C10H8F6O
SMILES
C1CC2CC1C(=C(C(F)(F)F)C(F)(F)F)C2=O
InChI
InChI=1S/C10H8F6O/c11-9(12,13)8(10(14,15)16)6-4-1-2-5(3-4)7(6)17/h4-5H,1-3H2
InChIKey
NWDOERDJQMOCQH-UHFFFAOYSA-N
Compound name
3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)bicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.04794 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.055216 151.7
[M+Na]+ 281.037158 160.5
[M-H]- 257.040664 147.2
[M+NH4]+ 276.081763 173.6
[M+K]+ 297.011098 156.7
[M+H-H2O]+ 241.045200 144.1
[M+HCOO]- 303.046141 162.7
[M+CH3COO]- 317.061791 193.5
[M+Na-2H]- 279.022606 151.6
[M]+ 258.04739142 141.4
[M]- 258.04848858 141.4
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.