CID 21548

5425-62-7

Structural Information

Molecular Formula
C8H9AsClNO4
SMILES
C1=CC(=CC=C1NC(=O)CCl)[As](=O)(O)O
InChI
InChI=1S/C8H9AsClNO4/c10-5-8(12)11-7-3-1-6(2-4-7)9(13,14)15/h1-4H,5H2,(H,11,12)(H2,13,14,15)
InChIKey
BWPMHDNLIGQVLN-UHFFFAOYSA-N
Compound name
[4-[(2-chloroacetyl)amino]phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

292.9436 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.95088 155.8
[M+Na]+ 315.93282 163.2
[M-H]- 291.93632 156.7
[M+NH4]+ 310.97742 172.3
[M+K]+ 331.90676 159.1
[M+H-H2O]+ 275.94086 150.9
[M+HCOO]- 337.94180 171.9
[M+CH3COO]- 351.95745 185.4
[M+Na-2H]- 313.91827 160.7
[M]+ 292.94305 156.8
[M]- 292.94415 156.8
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

patents stripe