CID 135602216

1,6-dihydroxy-2-chlorophenazine

Structural Information

Molecular Formula
C12H7ClN2O2
SMILES
C1=CC2=C(C(=C1)O)N=C3C=CC(=C(C3=N2)O)Cl
InChI
InChI=1S/C12H7ClN2O2/c13-6-4-5-8-11(12(6)17)15-7-2-1-3-9(16)10(7)14-8/h1-5,16-17H
InChIKey
PFRLSIGYPXAHNU-UHFFFAOYSA-N
Compound name
2-chlorophenazine-1,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

246.0196 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.02688 148.1
[M+Na]+ 269.00882 161.6
[M-H]- 245.01232 149.5
[M+NH4]+ 264.05342 165.1
[M+K]+ 284.98276 154.8
[M+H-H2O]+ 229.01686 141.5
[M+HCOO]- 291.01780 162.8
[M+CH3COO]- 305.03345 161.0
[M+Na-2H]- 266.99427 158.0
[M]+ 246.01905 152.0
[M]- 246.02015 152.0
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