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]+ 259.05522 151.7
[M+Na]+ 281.03716 160.5
[M-H]- 257.04066 147.2
[M+NH4]+ 276.08176 173.6
[M+K]+ 297.01110 156.7
[M+H-H2O]+ 241.04520 144.1
[M+HCOO]- 303.04614 162.7
[M+CH3COO]- 317.06179 193.5
[M+Na-2H]- 279.02261 151.6
[M]+ 258.04739 141.4
[M]- 258.04849 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.