CID 154699508

Ns00117271

Structural Information

Molecular Formula
C13H11Cl2N2O
SMILES
C1=CC(=C(C=C1CC2=CC(=C(C=C2)N[O-])Cl)Cl)N
InChI
InChI=1S/C13H11Cl2N2O/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17-18)11(15)7-9/h1-4,6-7,17H,5,16H2/q-1
InChIKey
BGIRCXVPTMCPMU-UHFFFAOYSA-N
Compound name
2-chloro-4-[[3-chloro-4-(oxidoamino)phenyl]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.02484 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.03212 160.5
[M+Na]+ 304.01406 169.5
[M-H]- 280.01756 164.5
[M+NH4]+ 299.05866 176.4
[M+K]+ 319.98800 163.1
[M+H-H2O]+ 264.02210 157.1
[M+HCOO]- 326.02304 176.2
[M+CH3COO]- 340.03869 199.7
[M+Na-2H]- 301.99951 163.2
[M]+ 281.02429 160.9
[M]- 281.02539 160.9
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

No patent data available for this compound.