CID 12838

1,2,4,5-tetracyanobenzene

Structural Information

Molecular Formula
C10H2N4
SMILES
C1=C(C(=CC(=C1C#N)C#N)C#N)C#N
InChI
InChI=1S/C10H2N4/c11-3-7-1-8(4-12)10(6-14)2-9(7)5-13/h1-2H
InChIKey
FAAXSAZENACQBT-UHFFFAOYSA-N
Compound name
benzene-1,2,4,5-tetracarbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

28
References

1321
Patents

178.02794 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03522 161.5
[M+Na]+ 201.01716 166.9
[M-H]- 177.02066 165.4
[M+NH4]+ 196.06176 165.6
[M+K]+ 216.99110 164.7
[M+H-H2O]+ 161.02520 153.4
[M+HCOO]- 223.02614 163.4
[M+CH3COO]- 237.04179 245.8
[M+Na-2H]- 199.00261 159.2
[M]+ 178.02739 156.3
[M]- 178.02849 156.3
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