CID 93735

57610-10-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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

literature stripe

Patent stripe

patents stripe