CID 52954

Brn 2998342

Structural Information

Molecular Formula
C14H13AsClNO4
SMILES
C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)[As](=O)(O)O)Cl
InChI
InChI=1S/C14H13AsClNO4/c16-12-5-1-10(2-6-12)9-14(18)17-13-7-3-11(4-8-13)15(19,20)21/h1-8H,9H2,(H,17,18)(H2,19,20,21)
InChIKey
QBJQYDCAILZJFV-UHFFFAOYSA-N
Compound name
[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.9749 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.98218 176.7
[M+Na]+ 391.96412 183.6
[M-H]- 367.96762 180.6
[M+NH4]+ 387.00872 189.9
[M+K]+ 407.93806 178.0
[M+H-H2O]+ 351.97216 170.0
[M+HCOO]- 413.97310 192.2
[M+CH3COO]- 427.98875 200.7
[M+Na-2H]- 389.94957 180.5
[M]+ 368.97435 177.9
[M]- 368.97545 177.9
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.