CID 224921

(4-nitronaphthalen-1-yl)arsonic acid

Structural Information

Molecular Formula
C10H8AsNO5
SMILES
C1=CC=C2C(=C1)C(=CC=C2[As](=O)(O)O)[N+](=O)[O-]
InChI
InChI=1S/C10H8AsNO5/c13-11(14,15)9-5-6-10(12(16)17)8-4-2-1-3-7(8)9/h1-6H,(H2,13,14,15)
InChIKey
XEUXBZYSGAMIPD-UHFFFAOYSA-N
Compound name
(4-nitronaphthalen-1-yl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.96185 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.96913 155.2
[M+Na]+ 319.95107 162.3
[M-H]- 295.95457 157.2
[M+NH4]+ 314.99567 171.1
[M+K]+ 335.92501 155.1
[M+H-H2O]+ 279.95911 153.7
[M+HCOO]- 341.96005 175.6
[M+CH3COO]- 355.97570 180.8
[M+Na-2H]- 317.93652 164.8
[M]+ 296.96130 153.6
[M]- 296.96240 153.6
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.