CID 459190

Ethyl n-(4-arsoroso-3-hydroxy-phenyl)carbamate

Structural Information

Molecular Formula
C9H10AsNO4
SMILES
CCOC(=O)NC1=CC(=C(C=C1)[As]=O)O
InChI
InChI=1S/C9H10AsNO4/c1-2-15-9(13)11-6-3-4-7(10-14)8(12)5-6/h3-5,12H,2H2,1H3,(H,11,13)
InChIKey
PUJBIUVQNNKOMQ-UHFFFAOYSA-N
Compound name
ethyl N-(4-arsoroso-3-hydroxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.98257 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.98985 154.0
[M+Na]+ 293.97179 161.2
[M-H]- 269.97529 156.3
[M+NH4]+ 289.01639 171.5
[M+K]+ 309.94573 159.4
[M+H-H2O]+ 253.97983 147.2
[M+HCOO]- 315.98077 177.4
[M+CH3COO]- 329.99642 187.2
[M+Na-2H]- 291.95724 157.7
[M]+ 270.98202 155.9
[M]- 270.98312 155.9
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.