CID 102110836

Dtxsid50895443

Structural Information

Molecular Formula
C10H6F13N
SMILES
CC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C#N
InChI
InChI=1S/C10H6F13N/c1-4(3-24)2-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h4H,2H2,1H3
InChIKey
RPDYMBHOOYCGKA-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-methylnonanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

387.02927 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.03655 163.8
[M+Na]+ 410.01849 171.6
[M-H]- 386.02199 150.8
[M+NH4]+ 405.06309 172.7
[M+K]+ 425.99243 170.7
[M+H-H2O]+ 370.02653 145.1
[M+HCOO]- 432.02747 162.1
[M+CH3COO]- 446.04312 228.6
[M+Na-2H]- 408.00394 165.3
[M]+ 387.02872 140.8
[M]- 387.02982 140.8
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.