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

119
Patents

189.0112 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.018476 136.2
[M+Na]+ 212.000418 147.1
[M-H]- 188.003924 139.3
[M+NH4]+ 207.045023 157.4
[M+K]+ 227.974358 141.5
[M+H-H2O]+ 172.008460 132.9
[M+HCOO]- 234.009401 151.7
[M+CH3COO]- 248.025051 184.5
[M+Na-2H]- 209.985866 140.7
[M]+ 189.01065142 138.0
[M]- 189.01174858 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