CID 20117

Brn 2849283

Structural Information

Molecular Formula
C10H12AsCl2NO
SMILES
C1=CC(=CC=C1N(CCCl)CCCl)[As]=O
InChI
InChI=1S/C10H12AsCl2NO/c12-5-7-14(8-6-13)10-3-1-9(11-15)2-4-10/h1-4H,5-8H2
InChIKey
RVHXTBHJZUZADA-UHFFFAOYSA-N
Compound name
4-arsoroso-N,N-bis(2-chloroethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.9512 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.95848 159.5
[M+Na]+ 329.94042 173.0
[M+NH4]+ 324.98502 168.3
[M+K]+ 345.91436 163.9
[M-H]- 305.94392 162.3
[M+Na-2H]- 327.92587 166.2
[M]+ 306.95065 162.8
[M]- 306.95175 162.8
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.