CID 548665

Bicyclo[2.2.1]hept-2-ene, 5,5,6-trifluoro-6-(heptafluoropropoxy)-

Structural Information

Molecular Formula
C10H6F10O
SMILES
C1C2C=CC1C(C2(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F
InChI
InChI=1S/C10H6F10O/c11-6(12)4-1-2-5(3-4)7(6,13)21-10(19,20)8(14,15)9(16,17)18/h1-2,4-5H,3H2
InChIKey
JZEKVGIWHZEUSP-UHFFFAOYSA-N
Compound name
5,5,6-trifluoro-6-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

185
Patents

332.0259 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.03318 162.2
[M+Na]+ 355.01512 174.2
[M-H]- 331.01862 154.1
[M+NH4]+ 350.05972 184.6
[M+K]+ 370.98906 169.9
[M+H-H2O]+ 315.02316 153.1
[M+HCOO]- 377.02410 169.5
[M+CH3COO]- 391.03975 207.0
[M+Na-2H]- 353.00057 165.9
[M]+ 332.02535 150.4
[M]- 332.02645 150.4
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

patents stripe