CID 11362

Adamsite

Structural Information

Molecular Formula
C12H9AsClN
SMILES
C1=CC=C2C(=C1)NC3=CC=CC=C3[As]2Cl
InChI
InChI=1S/C12H9AsClN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,15H
InChIKey
PBNSPNYJYOYWTA-UHFFFAOYSA-N
Compound name
10-chloro-5H-phenarsazinine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

6
References

327
Patents

276.96396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.97124 152.5
[M+Na]+ 299.95318 169.4
[M+NH4]+ 294.99778 163.6
[M+K]+ 315.92712 159.0
[M-H]- 275.95668 156.7
[M+Na-2H]- 297.93863 160.4
[M]+ 276.96341 156.6
[M]- 276.96451 156.6
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