CID 21254

Brn 2865312

Structural Information

Molecular Formula
C12H16AsCl2NS2
SMILES
C1CS[As](S1)C2=CC=C(C=C2)N(CCCl)CCCl
InChI
InChI=1S/C12H16AsCl2NS2/c14-5-7-16(8-6-15)12-3-1-11(2-4-12)13-17-9-10-18-13/h1-4H,5-10H2
InChIKey
ADZGPJUBGGUXJG-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4-(1,3,2-dithiarsolan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.93173 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.93901 180.2
[M+Na]+ 405.92095 186.6
[M-H]- 381.92445 186.6
[M+NH4]+ 400.96555 198.1
[M+K]+ 421.89489 180.0
[M+H-H2O]+ 365.92899 174.6
[M+HCOO]- 427.92993 183.5
[M+CH3COO]- 441.94558 207.2
[M+Na-2H]- 403.90640 176.3
[M]+ 382.93118 184.0
[M]- 382.93228 184.0
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.