CID 33130

Phenol, 2-methyldinitro-, sodium salt

Structural Information

Molecular Formula
C7H6N2O5
SMILES
C1=CC=C(C(=C1)C([N+](=O)[O-])[N+](=O)[O-])O
InChI
InChI=1S/C7H6N2O5/c10-6-4-2-1-3-5(6)7(8(11)12)9(13)14/h1-4,7,10H
InChIKey
ZSGSRGXOEWSANG-UHFFFAOYSA-N
Compound name
2-(dinitromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

198.02766 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.03494 140.2
[M+Na]+ 221.01688 152.4
[M+NH4]+ 216.06148 147.0
[M+K]+ 236.99082 161.6
[M-H]- 197.02038 143.2
[M+Na-2H]- 219.00233 145.0
[M]+ 198.02711 142.4
[M]- 198.02821 142.4
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