CID 1679

3-nitrosobenzamide

Structural Information

Molecular Formula
C7H6N2O2
SMILES
C1=CC(=CC(=C1)N=O)C(=O)N
InChI
InChI=1S/C7H6N2O2/c8-7(10)5-2-1-3-6(4-5)9-11/h1-4H,(H2,8,10)
InChIKey
OZUBORKYZRYLSQ-UHFFFAOYSA-N
Compound name
3-nitrosobenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

272
Patents

150.04292 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.050196 126.5
[M+Na]+ 173.032138 134.6
[M-H]- 149.035644 131.6
[M+NH4]+ 168.076743 147.4
[M+K]+ 189.006078 133.9
[M+H-H2O]+ 133.040180 120.2
[M+HCOO]- 195.041121 154.5
[M+CH3COO]- 209.056771 181.2
[M+Na-2H]- 171.017586 133.8
[M]+ 150.04237142 126.2
[M]- 150.04346858 126.2
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