CID 52952

Brn 2986190

Structural Information

Molecular Formula
C10H13AsClNO4
SMILES
C1=CC(=CC=C1NC(=O)CCCCl)[As](=O)(O)O
InChI
InChI=1S/C10H13AsClNO4/c12-7-1-2-10(14)13-9-5-3-8(4-6-9)11(15,16)17/h3-6H,1-2,7H2,(H,13,14)(H2,15,16,17)
InChIKey
PQUCLFYBCLGCKA-UHFFFAOYSA-N
Compound name
[4-(4-chlorobutanoylamino)phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.9749 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.98218 165.0
[M+Na]+ 343.96412 171.5
[M-H]- 319.96762 165.5
[M+NH4]+ 339.00872 180.4
[M+K]+ 359.93806 167.0
[M+H-H2O]+ 303.97216 159.7
[M+HCOO]- 365.97310 180.5
[M+CH3COO]- 379.98875 191.4
[M+Na-2H]- 341.94957 168.8
[M]+ 320.97435 166.7
[M]- 320.97545 166.7
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.