CID 385988

1-methoxy-3-nitro-2-nitrosobenzene

Structural Information

Molecular Formula
C7H6N2O4
SMILES
COC1=CC=CC(=C1N=O)[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O4/c1-13-6-4-2-3-5(9(11)12)7(6)8-10/h2-4H,1H3
InChIKey
BNKCIMUOKBBGNJ-UHFFFAOYSA-N
Compound name
1-methoxy-3-nitro-2-nitrosobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.03276 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04004 131.5
[M+Na]+ 205.02198 140.1
[M-H]- 181.02548 137.4
[M+NH4]+ 200.06658 151.2
[M+K]+ 220.99592 136.2
[M+H-H2O]+ 165.03002 129.9
[M+HCOO]- 227.03096 161.0
[M+CH3COO]- 241.04661 179.4
[M+Na-2H]- 203.00743 141.2
[M]+ 182.03221 133.6
[M]- 182.03331 133.6
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.