CID 81434

Benzene, 4-methyl-2-nitro-1-nitroso-

Structural Information

Molecular Formula
C7H6N2O3
SMILES
CC1=CC(=C(C=C1)N=O)[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O3/c1-5-2-3-6(8-10)7(4-5)9(11)12/h2-4H,1H3
InChIKey
UORRERBFSRQJHQ-UHFFFAOYSA-N
Compound name
4-methyl-2-nitro-1-nitrosobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.03784 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.04512 128.5
[M+Na]+ 189.02706 137.2
[M-H]- 165.03056 134.4
[M+NH4]+ 184.07166 149.0
[M+K]+ 205.00100 132.9
[M+H-H2O]+ 149.03510 127.2
[M+HCOO]- 211.03604 157.9
[M+CH3COO]- 225.05169 177.3
[M+Na-2H]- 187.01251 138.1
[M]+ 166.03729 129.2
[M]- 166.03839 129.2
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.