CID 21549

Nsc 12660

Structural Information

Molecular Formula
C13H12AsNO4
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)[As](=O)(O)O
InChI
InChI=1S/C13H12AsNO4/c16-13(15-12-4-2-1-3-5-12)10-6-8-11(9-7-10)14(17,18)19/h1-9H,(H,15,16)(H2,17,18,19)
InChIKey
MIBHUUONYABPOB-UHFFFAOYSA-N
Compound name
[4-(phenylcarbamoyl)phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.99823 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.00551 166.4
[M+Na]+ 343.98745 172.0
[M-H]- 319.99095 170.1
[M+NH4]+ 339.03205 180.3
[M+K]+ 359.96139 168.3
[M+H-H2O]+ 303.99549 158.8
[M+HCOO]- 365.99643 186.7
[M+CH3COO]- 380.01208 192.7
[M+Na-2H]- 341.97290 171.7
[M]+ 320.99768 164.5
[M]- 320.99878 164.5
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.