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]+ 402.99983 170.2
[M+Na]+ 424.98177 178.4
[M-H]- 400.98527 160.2
[M+NH4]+ 420.02637 163.1
[M+K]+ 440.95571 174.3
[M+H-H2O]+ 384.98981 157.1
[M+HCOO]- 446.99075 168.9
[M+CH3COO]- 461.00640 217.7
[M+Na-2H]- 422.96722 169.0
[M]+ 401.99200 148.8
[M]- 401.99310 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

No patent data available for this compound.