CID 20111613

Dtxsid30895663

Structural Information

Molecular Formula
C12H2F20O
SMILES
C(=C(/C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C=O
InChI
InChI=1S/C12H2F20O/c13-3(1-2-33)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)32/h1-2H/b3-1-
InChIKey
CUXBFMXZUCCELK-IWQZZHSRSA-N
Compound name
(Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-icosafluorododec-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

541.97864 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.98592 173.3
[M+Na]+ 564.96786 179.5
[M-H]- 540.97136 182.1
[M+NH4]+ 560.01246 184.5
[M+K]+ 580.94180 189.3
[M+H-H2O]+ 524.97590 162.8
[M+HCOO]- 586.97684 192.3
[M+CH3COO]- 600.99249 243.4
[M+Na-2H]- 562.95331 174.1
[M]+ 541.97809 171.3
[M]- 541.97919 171.3
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.