CID 21321377

2-chloro-n-[(4-chlorophenyl)methyl]aniline hydrochloride

Structural Information

Molecular Formula
C13H11Cl2N
SMILES
C1=CC=C(C(=C1)NCC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H11Cl2N/c14-11-7-5-10(6-8-11)9-16-13-4-2-1-3-12(13)15/h1-8,16H,9H2
InChIKey
KHNHMKBAWZEQPF-UHFFFAOYSA-N
Compound name
2-chloro-N-[(4-chlorophenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

251.02686 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.03414 152.6
[M+Na]+ 274.01608 161.9
[M-H]- 250.01958 158.4
[M+NH4]+ 269.06068 170.8
[M+K]+ 289.99002 154.9
[M+H-H2O]+ 234.02412 146.8
[M+HCOO]- 296.02506 168.5
[M+CH3COO]- 310.04071 165.2
[M+Na-2H]- 272.00153 158.6
[M]+ 251.02631 154.8
[M]- 251.02741 154.8
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