CID 4278281

2-(dibromonitromethyl)-3-methylpyridine

Structural Information

Molecular Formula
C7H6Br2N2O2
SMILES
CC1=C(N=CC=C1)C([N+](=O)[O-])(Br)Br
InChI
InChI=1S/C7H6Br2N2O2/c1-5-3-2-4-10-6(5)7(8,9)11(12)13/h2-4H,1H3
InChIKey
VOSBJMXZDHLXRV-UHFFFAOYSA-N
Compound name
2-[dibromo(nitro)methyl]-3-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

307.8796 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.88688 147.6
[M+Na]+ 330.86882 158.1
[M-H]- 306.87232 153.7
[M+NH4]+ 325.91342 164.9
[M+K]+ 346.84276 139.9
[M+H-H2O]+ 290.87686 158.4
[M+HCOO]- 352.87780 163.4
[M+CH3COO]- 366.89345 199.5
[M+Na-2H]- 328.85427 157.3
[M]+ 307.87905 181.5
[M]- 307.88015 181.5
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