CID 145913643

6-(chloromethyl)-2-methyl-3-nitropyridine

Structural Information

Molecular Formula
C7H7ClN2O2
SMILES
CC1=C(C=CC(=N1)CCl)[N+](=O)[O-]
InChI
InChI=1S/C7H7ClN2O2/c1-5-7(10(11)12)3-2-6(4-8)9-5/h2-3H,4H2,1H3
InChIKey
BKBUYGVSDVOMNZ-UHFFFAOYSA-N
Compound name
6-(chloromethyl)-2-methyl-3-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0196 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.026876 134.4
[M+Na]+ 209.008818 143.8
[M-H]- 185.012324 137.1
[M+NH4]+ 204.053423 153.3
[M+K]+ 224.982758 136.9
[M+H-H2O]+ 169.016860 133.8
[M+HCOO]- 231.017801 154.9
[M+CH3COO]- 245.033451 175.4
[M+Na-2H]- 206.994266 142.7
[M]+ 186.01905142 135.7
[M]- 186.02014858 135.7
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.