CID 52949

Brn 2993133

Structural Information

Molecular Formula
C13H11AsClNO4
SMILES
C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)[As](=O)(O)O)Cl
InChI
InChI=1S/C13H11AsClNO4/c15-11-5-1-9(2-6-11)13(17)16-12-7-3-10(4-8-12)14(18,19)20/h1-8H,(H,16,17)(H2,18,19,20)
InChIKey
KYZPXPWVYRHEQP-UHFFFAOYSA-N
Compound name
[4-[(4-chlorobenzoyl)amino]phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.95926 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.96654 172.1
[M+Na]+ 377.94848 179.5
[M-H]- 353.95198 176.2
[M+NH4]+ 372.99308 185.9
[M+K]+ 393.92242 174.1
[M+H-H2O]+ 337.95652 165.6
[M+HCOO]- 399.95746 188.0
[M+CH3COO]- 413.97311 197.7
[M+Na-2H]- 375.93393 176.4
[M]+ 354.95871 173.0
[M]- 354.95981 173.0
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.