CID 485428

N-(2,5-dichlorobenzyl)-n-methylamine

Structural Information

Molecular Formula
C8H9Cl2N
SMILES
CNCC1=C(C=CC(=C1)Cl)Cl
InChI
InChI=1S/C8H9Cl2N/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4,11H,5H2,1H3
InChIKey
MBWHXHJPISASFP-UHFFFAOYSA-N
Compound name
1-(2,5-dichlorophenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

68
Patents

189.0112 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.018476 135.9
[M+Na]+ 212.000418 145.9
[M-H]- 188.003924 139.2
[M+NH4]+ 207.045023 157.1
[M+K]+ 227.974358 140.7
[M+H-H2O]+ 172.008460 132.3
[M+HCOO]- 234.009401 152.1
[M+CH3COO]- 248.025051 184.0
[M+Na-2H]- 209.985866 142.2
[M]+ 189.01065142 138.4
[M]- 189.01174858 138.4
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