CID 67830

Perfluoroglutaronitrile

Structural Information

Molecular Formula
C5F6N2
SMILES
C(#N)C(C(C(C#N)(F)F)(F)F)(F)F
InChI
InChI=1S/C5F6N2/c6-3(7,1-12)5(10,11)4(8,9)2-13
InChIKey
YDLOFKOZJGMQBZ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4-hexafluoropentanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

201.99657 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.00385 140.1
[M+Na]+ 224.98579 148.6
[M-H]- 200.98929 137.1
[M+NH4]+ 220.03039 152.0
[M+K]+ 240.95973 148.8
[M+H-H2O]+ 184.99383 123.5
[M+HCOO]- 246.99477 146.5
[M+CH3COO]- 261.01042 216.6
[M+Na-2H]- 222.97124 143.2
[M]+ 201.99602 126.2
[M]- 201.99712 126.2
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