CID 52950

Brn 2986236

Structural Information

Molecular Formula
C8H8AsCl2NO4
SMILES
C1=CC(=CC=C1NC(=O)C(Cl)Cl)[As](=O)(O)O
InChI
InChI=1S/C8H8AsCl2NO4/c10-7(11)8(13)12-6-3-1-5(2-4-6)9(14,15)16/h1-4,7H,(H,12,13)(H2,14,15,16)
InChIKey
CHPHDGXSVREWSA-UHFFFAOYSA-N
Compound name
[4-[(2,2-dichloroacetyl)amino]phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.90463 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.91191 159.7
[M+Na]+ 349.89385 167.3
[M-H]- 325.89735 160.2
[M+NH4]+ 344.93845 175.3
[M+K]+ 365.86779 162.3
[M+H-H2O]+ 309.90189 155.9
[M+HCOO]- 371.90283 170.0
[M+CH3COO]- 385.91848 191.0
[M+Na-2H]- 347.87930 162.9
[M]+ 326.90408 161.4
[M]- 326.90518 161.4
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.