CID 121014

2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)propanedinitrile

Structural Information

Molecular Formula
C6F6N2
SMILES
C(#N)C(=C(C(F)(F)F)C(F)(F)F)C#N
InChI
InChI=1S/C6F6N2/c7-5(8,9)4(6(10,11)12)3(1-13)2-14
InChIKey
PFXBZIOMDHRUQQ-UHFFFAOYSA-N
Compound name
2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

33
Patents

213.99657 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.00385 142.1
[M+Na]+ 236.98579 150.2
[M-H]- 212.98929 138.9
[M+NH4]+ 232.03039 153.7
[M+K]+ 252.95973 149.8
[M+H-H2O]+ 196.99383 125.1
[M+HCOO]- 258.99477 148.2
[M+CH3COO]- 273.01042 217.2
[M+Na-2H]- 234.97124 142.9
[M]+ 213.99602 127.4
[M]- 213.99712 127.4
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

patents stripe