CID 224895

5430-24-0

Structural Information

Molecular Formula
C7H6NO7Sb
SMILES
C1=CC(=C(C=C1[Sb](=O)(O)O)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C7H4NO4.2H2O.O.Sb/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;;/h1,3-4H,(H,9,10);2*1H2;;/q;;;;+2/p-2
InChIKey
HUAYIYWLCZXNRE-UHFFFAOYSA-L
Compound name
2-nitro-4-stibonobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

336.91824 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.92552 159.9
[M+Na]+ 359.90746 166.0
[M-H]- 335.91096 159.5
[M+NH4]+ 354.95206 173.6
[M+K]+ 375.88140 160.0
[M+H-H2O]+ 319.91550 158.4
[M+HCOO]- 381.91644 179.0
[M+CH3COO]- 395.93209 177.7
[M+Na-2H]- 357.89291 165.6
[M]+ 336.91769 157.9
[M]- 336.91879 157.9
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