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

2
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

patents stripe