CID 5708682

(3e)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodeca-1,3-diene

Structural Information

Molecular Formula
C10H5F13
SMILES
C=C/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H5F13/c1-2-3-4-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2-4H,1H2/b4-3+
InChIKey
HALRAMNRSBXAOM-ONEGZZNKSA-N
Compound name
(3E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodeca-1,3-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

372.01837 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.02565 170.5
[M+Na]+ 395.00759 179.7
[M-H]- 371.01109 156.4
[M+NH4]+ 390.05219 181.7
[M+K]+ 410.98153 175.1
[M+H-H2O]+ 355.01563 157.2
[M+HCOO]- 417.01657 170.5
[M+CH3COO]- 431.03222 216.7
[M+Na-2H]- 392.99304 172.9
[M]+ 372.01782 149.9
[M]- 372.01892 149.9
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.