CID 2060844

731827-07-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

189.0112 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.01848 135.1
[M+Na]+ 212.00042 150.1
[M+NH4]+ 207.04502 145.3
[M+K]+ 227.97436 141.5
[M-H]- 188.00392 138.7
[M+Na-2H]- 209.98587 143.5
[M]+ 189.01065 139.0
[M]- 189.01175 139.0
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

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