CID 485424

5013-77-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

201
Patents

189.0112 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.01848 135.9
[M+Na]+ 212.00042 145.9
[M-H]- 188.00392 139.2
[M+NH4]+ 207.04502 157.1
[M+K]+ 227.97436 140.7
[M+H-H2O]+ 172.00846 132.3
[M+HCOO]- 234.00940 152.1
[M+CH3COO]- 248.02505 184.0
[M+Na-2H]- 209.98587 142.2
[M]+ 189.01065 138.4
[M]- 189.01175 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