CID 165362417

7:3 ftuuca

Structural Information

Molecular Formula
C10H3F13O2
SMILES
C(=C/C(=O)O)\C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\F
InChI
InChI=1S/C10H3F13O2/c11-3(1-2-4(24)25)5(12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h1-2H,(H,24,25)/b2-1+,5-3+
InChIKey
DGMVEIYXGVDXMW-NRNIAZNESA-N
Compound name
(2E,4E)-4,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodeca-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

401.99255 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.999826 170.2
[M+Na]+ 424.981768 178.4
[M-H]- 400.985274 160.2
[M+NH4]+ 420.026373 163.1
[M+K]+ 440.955708 174.3
[M+H-H2O]+ 384.989810 157.1
[M+HCOO]- 446.990751 168.9
[M+CH3COO]- 461.006401 217.7
[M+Na-2H]- 422.967216 169.0
[M]+ 401.99200142 148.8
[M]- 401.99309858 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

literature stripe

Patent stripe

No patent data available for this compound.