CID 6335744

Phenol, 2-amino-3,5-dinitro-, monosodium salt

Structural Information

Molecular Formula
C6H5N3O5
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])N)O)[N+](=O)[O-]
InChI
InChI=1S/C6H5N3O5/c7-6-4(9(13)14)1-3(8(11)12)2-5(6)10/h1-2,10H,7H2
InChIKey
QDKMCPXBRNXVCF-UHFFFAOYSA-N
Compound name
2-amino-3,5-dinitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

199.02292 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03020 139.4
[M+Na]+ 222.01214 151.3
[M+NH4]+ 217.05674 145.8
[M+K]+ 237.98608 160.8
[M-H]- 198.01564 142.8
[M+Na-2H]- 219.99759 143.5
[M]+ 199.02237 141.5
[M]- 199.02347 141.5
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