CID 7131571

[(2-chloro-5-nitrophenyl)methyl](methyl)amine hydrochloride

Structural Information

Molecular Formula
C8H9ClN2O2
SMILES
CNCC1=C(C=CC(=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C8H9ClN2O2/c1-10-5-6-4-7(11(12)13)2-3-8(6)9/h2-4,10H,5H2,1H3
InChIKey
YRTNCUPHKWUHMQ-UHFFFAOYSA-N
Compound name
1-(2-chloro-5-nitrophenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.03525 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04253 139.5
[M+Na]+ 223.02447 147.5
[M-H]- 199.02797 143.2
[M+NH4]+ 218.06907 158.7
[M+K]+ 238.99841 140.3
[M+H-H2O]+ 183.03251 139.3
[M+HCOO]- 245.03345 161.9
[M+CH3COO]- 259.04910 180.4
[M+Na-2H]- 221.00992 147.1
[M]+ 200.03470 140.0
[M]- 200.03580 140.0
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

No patent data available for this compound.