CID 2776365

Perfluorosebaconitrile

Structural Information

Molecular Formula
C10F16N2
SMILES
C(#N)C(C(C(C(C(C(C(C(C#N)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10F16N2/c11-3(12,1-27)5(15,16)7(19,20)9(23,24)10(25,26)8(21,22)6(17,18)4(13,14)2-28
InChIKey
BQBPZGPUHIVSAM-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

451.9806 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.98788 169.5
[M+Na]+ 474.96982 174.9
[M-H]- 450.97332 159.5
[M+NH4]+ 470.01442 221.8
[M+K]+ 490.94376 176.5
[M+H-H2O]+ 434.97786 149.9
[M+HCOO]- 496.97880 229.4
[M+CH3COO]- 510.99445 245.1
[M+Na-2H]- 472.95527 170.2
[M]+ 451.98005 145.2
[M]- 451.98115 145.2
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

patents stripe