CID 21513

4-aminophenyldichloroarsine

Structural Information

Molecular Formula
C6H6AsCl2N
SMILES
C1=CC(=CC=C1N)[As](Cl)Cl
InChI
InChI=1S/C6H6AsCl2N/c8-7(9)5-1-3-6(10)4-2-5/h1-4H,10H2
InChIKey
HOSWABMJBUJVEQ-UHFFFAOYSA-N
Compound name
4-dichloroarsanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

27
Patents

236.90932 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.91660 143.0
[M+Na]+ 259.89854 151.8
[M-H]- 235.90204 145.2
[M+NH4]+ 254.94314 163.4
[M+K]+ 275.87248 146.5
[M+H-H2O]+ 219.90658 138.8
[M+HCOO]- 281.90752 157.3
[M+CH3COO]- 295.92317 182.2
[M+Na-2H]- 257.88399 147.1
[M]+ 236.90877 143.2
[M]- 236.90987 143.2
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