CID 2800971

2,4-dichloro-6-methylbenzylamine

Structural Information

Molecular Formula
C8H9Cl2N
SMILES
CC1=CC(=CC(=C1CN)Cl)Cl
InChI
InChI=1S/C8H9Cl2N/c1-5-2-6(9)3-8(10)7(5)4-11/h2-3H,4,11H2,1H3
InChIKey
QISTWSMZJRTDCS-UHFFFAOYSA-N
Compound name
(2,4-dichloro-6-methylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

189.0112 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.01848 136.2
[M+Na]+ 212.00042 147.1
[M-H]- 188.00392 139.3
[M+NH4]+ 207.04502 157.4
[M+K]+ 227.97436 141.5
[M+H-H2O]+ 172.00846 132.9
[M+HCOO]- 234.00940 151.7
[M+CH3COO]- 248.02505 184.5
[M+Na-2H]- 209.98587 140.7
[M]+ 189.01065 138.0
[M]- 189.01175 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe