CID 21511

1-naphthalenearsonic acid

Structural Information

Molecular Formula
C10H9AsO3
SMILES
C1=CC=C2C(=C1)C=CC=C2[As](=O)(O)O
InChI
InChI=1S/C10H9AsO3/c12-11(13,14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,12,13,14)
InChIKey
XUMIJWCAWDYMOE-UHFFFAOYSA-N
Compound name
naphthalen-1-ylarsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.97676 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.98404 148.2
[M+Na]+ 274.96598 156.4
[M-H]- 250.96948 150.1
[M+NH4]+ 270.01058 167.0
[M+K]+ 290.93992 152.6
[M+H-H2O]+ 234.97402 142.6
[M+HCOO]- 296.97496 167.6
[M+CH3COO]- 310.99061 178.6
[M+Na-2H]- 272.95143 156.6
[M]+ 251.97621 147.4
[M]- 251.97731 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe