CID 631555

28442-30-0

Structural Information

Molecular Formula
C14F8N2
SMILES
C(#N)C1=C(C(=C(C(=C1F)F)C2=C(C(=C(C(=C2F)F)C#N)F)F)F)F
InChI
InChI=1S/C14F8N2/c15-7-3(1-23)8(16)12(20)5(11(7)19)6-13(21)9(17)4(2-24)10(18)14(6)22
InChIKey
HNVWQUWFHAHEHY-UHFFFAOYSA-N
Compound name
4-(4-cyano-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

347.99338 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.00066 154.5
[M+Na]+ 370.98260 168.1
[M-H]- 346.98610 153.2
[M+NH4]+ 366.02720 163.5
[M+K]+ 386.95654 162.2
[M+H-H2O]+ 330.99064 135.6
[M+HCOO]- 392.99158 162.4
[M+CH3COO]- 407.00723 237.8
[M+Na-2H]- 368.96805 151.5
[M]+ 347.99283 141.6
[M]- 347.99393 141.6
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