CID 52951

Brn 2983388

Structural Information

Molecular Formula
C9H11AsClNO4
SMILES
C1=CC(=CC=C1NC(=O)CCCl)[As](=O)(O)O
InChI
InChI=1S/C9H11AsClNO4/c11-6-5-9(13)12-8-3-1-7(2-4-8)10(14,15)16/h1-4H,5-6H2,(H,12,13)(H2,14,15,16)
InChIKey
LGRMZWYTYKGHPP-UHFFFAOYSA-N
Compound name
[4-(3-chloropropanoylamino)phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.95926 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.96654 160.4
[M+Na]+ 329.94848 167.4
[M-H]- 305.95198 161.1
[M+NH4]+ 324.99308 176.4
[M+K]+ 345.92242 163.1
[M+H-H2O]+ 289.95652 155.3
[M+HCOO]- 351.95746 176.2
[M+CH3COO]- 365.97311 188.4
[M+Na-2H]- 327.93393 164.8
[M]+ 306.95871 161.8
[M]- 306.95981 161.8
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.