CID 3041173

53581-62-7

Structural Information

Molecular Formula
C9H10Cl3N
SMILES
CC(CC1=CC(=C(C=C1Cl)Cl)Cl)N
InChI
InChI=1S/C9H10Cl3N/c1-5(13)2-6-3-8(11)9(12)4-7(6)10/h3-5H,2,13H2,1H3
InChIKey
YPAOIXZZXAFALV-UHFFFAOYSA-N
Compound name
1-(2,4,5-trichlorophenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.98788 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.99516 147.0
[M+Na]+ 259.97710 157.1
[M-H]- 235.98060 148.7
[M+NH4]+ 255.02170 166.0
[M+K]+ 275.95104 150.8
[M+H-H2O]+ 219.98514 144.2
[M+HCOO]- 281.98608 155.8
[M+CH3COO]- 296.00173 193.6
[M+Na-2H]- 257.96255 148.7
[M]+ 236.98733 148.7
[M]- 236.98843 148.7
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

No patent data available for this compound.