CID 71397449

2-ethyl-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-enal

Structural Information

Molecular Formula
C10H6F12O
SMILES
CCC(=C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F)C=O
InChI
InChI=1S/C10H6F12O/c1-2-4(3-23)5(11)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)22/h3H,2H2,1H3
InChIKey
INASZJPFWJZLGH-UHFFFAOYSA-N
Compound name
2-ethyl-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

370.0227 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.02998 167.3
[M+Na]+ 393.01192 175.8
[M-H]- 369.01542 153.8
[M+NH4]+ 388.05652 161.6
[M+K]+ 408.98586 172.3
[M+H-H2O]+ 353.01996 154.5
[M+HCOO]- 415.02090 171.0
[M+CH3COO]- 429.03655 216.4
[M+Na-2H]- 390.99737 167.6
[M]+ 370.02215 149.0
[M]- 370.02325 149.0
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.