CID 21134703

262617-19-6

Structural Information

Molecular Formula
C12H8F10O
SMILES
C1C2C=CC1C3C2C(C3(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C12H8F10O/c13-8(14)6-4-1-2-5(3-4)7(6)9(8,15)23-12(21,22)10(16,17)11(18,19)20/h1-2,4-7H,3H2
InChIKey
NGEYGRCDNBGSKG-UHFFFAOYSA-N
Compound name
3,3,4-trifluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)tricyclo[4.2.1.02,5]non-7-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

358.04153 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.04881 179.1
[M+Na]+ 381.03075 190.2
[M-H]- 357.03425 172.7
[M+NH4]+ 376.07535 195.5
[M+K]+ 397.00469 187.0
[M+H-H2O]+ 341.03879 167.3
[M+HCOO]- 403.03973 184.0
[M+CH3COO]- 417.05538 215.8
[M+Na-2H]- 379.01620 181.1
[M]+ 358.04098 176.7
[M]- 358.04208 176.7
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.