CID 85546964

Dtxsid401028700

Structural Information

Molecular Formula
C12H11ClN2O
SMILES
C1=CC=C(C=C1)OC2=C(C(=C(C=C2)N)N)Cl
InChI
InChI=1S/C12H11ClN2O/c13-11-10(7-6-9(14)12(11)15)16-8-4-2-1-3-5-8/h1-7H,14-15H2
InChIKey
BDNAPZRRMBYQEC-UHFFFAOYSA-N
Compound name
3-chloro-4-phenoxybenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1
Patents

234.05598 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06326 149.9
[M+Na]+ 257.04520 159.4
[M-H]- 233.04870 156.3
[M+NH4]+ 252.08980 167.9
[M+K]+ 273.01914 153.8
[M+H-H2O]+ 217.05324 143.7
[M+HCOO]- 279.05418 171.5
[M+CH3COO]- 293.06983 193.9
[M+Na-2H]- 255.03065 155.0
[M]+ 234.05543 149.8
[M]- 234.05653 149.8
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.