CID 101525070

4-(nonafluorobutyl)benzene-1,2-dicarbonitrile

Structural Information

Molecular Formula
C12H3F9N2
SMILES
C1=CC(=C(C=C1C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C#N)C#N
InChI
InChI=1S/C12H3F9N2/c13-9(14,10(15,16)11(17,18)12(19,20)21)8-2-1-6(4-22)7(3-8)5-23/h1-3H
InChIKey
AYVOAECFQMWJCP-UHFFFAOYSA-N
Compound name
4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)benzene-1,2-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

346.01526 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.02254 165.9
[M+Na]+ 369.00448 174.5
[M-H]- 345.00798 161.4
[M+NH4]+ 364.04908 173.6
[M+K]+ 384.97842 172.0
[M+H-H2O]+ 329.01252 146.8
[M+HCOO]- 391.01346 168.5
[M+CH3COO]- 405.02911 233.5
[M+Na-2H]- 366.98993 166.1
[M]+ 346.01471 149.0
[M]- 346.01581 149.0
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.