CID 6795

Diquat

Structural Information

Molecular Formula
C12H12N2
SMILES
C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31
InChI
InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2
InChIKey
SYJFEGQWDCRVNX-UHFFFAOYSA-N
Compound name
7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

628
References

35137
Patents

184.10005 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.10733 140.8
[M+Na]+ 207.08927 149.0
[M-H]- 183.09277 143.8
[M+NH4]+ 202.13387 158.9
[M+K]+ 223.06321 134.1
[M+H-H2O]+ 167.09731 137.8
[M+HCOO]- 229.09825 159.0
[M+CH3COO]- 243.11390 170.9
[M+Na-2H]- 205.07472 155.9
[M]+ 184.09950 136.8
[M]- 184.10060 136.8
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.