CID 5305632

1-[(3-nitrophenyl)methyl]-1h-imidazole

Structural Information

Molecular Formula
C10H9N3O2
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=CN=C2
InChI
InChI=1S/C10H9N3O2/c14-13(15)10-3-1-2-9(6-10)7-12-5-4-11-8-12/h1-6,8H,7H2
InChIKey
OBNHQPCFIWWAHQ-UHFFFAOYSA-N
Compound name
1-[(3-nitrophenyl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

203.06947 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07675 141.2
[M+Na]+ 226.05869 148.8
[M-H]- 202.06219 145.8
[M+NH4]+ 221.10329 158.2
[M+K]+ 242.03263 142.2
[M+H-H2O]+ 186.06673 137.4
[M+HCOO]- 248.06767 166.2
[M+CH3COO]- 262.08332 178.0
[M+Na-2H]- 224.04414 149.7
[M]+ 203.06892 139.7
[M]- 203.07002 139.7
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.