CID 3018796

78971-81-0

Structural Information

Molecular Formula
C9H6F12O
SMILES
C=COCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H6F12O/c1-2-22-3-5(12,13)7(16,17)9(20,21)8(18,19)6(14,15)4(10)11/h2,4H,1,3H2
InChIKey
PSLCNUISXILWOY-UHFFFAOYSA-N
Compound name
7-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

358.0227 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.02998 166.1
[M+Na]+ 381.01192 174.7
[M-H]- 357.01542 152.5
[M+NH4]+ 376.05652 177.8
[M+K]+ 396.98586 171.5
[M+H-H2O]+ 341.01996 153.0
[M+HCOO]- 403.02090 167.9
[M+CH3COO]- 417.03655 215.1
[M+Na-2H]- 378.99737 167.7
[M]+ 358.02215 148.8
[M]- 358.02325 148.8
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