CID 108900

Treparsol

Structural Information

Molecular Formula
C7H8AsNO5
SMILES
C1=CC(=C(C=C1[As](=O)(O)O)NC=O)O
InChI
InChI=1S/C7H8AsNO5/c10-4-9-6-3-5(8(12,13)14)1-2-7(6)11/h1-4,11H,(H,9,10)(H2,12,13,14)
InChIKey
MRRBSAJNXHXCBL-UHFFFAOYSA-N
Compound name
(3-formamido-4-hydroxyphenyl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

260.96185 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.96913 148.3
[M+Na]+ 283.95107 155.9
[M-H]- 259.95457 148.2
[M+NH4]+ 278.99567 164.7
[M+K]+ 299.92501 153.2
[M+H-H2O]+ 243.95911 142.6
[M+HCOO]- 305.96005 168.8
[M+CH3COO]- 319.97570 179.6
[M+Na-2H]- 281.93652 154.2
[M]+ 260.96130 147.5
[M]- 260.96240 147.5
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

patents stripe