CID 18543159

1-n-benzyl-2-chlorobenzene-1,4-diamine

Structural Information

Molecular Formula
C13H13ClN2
SMILES
C1=CC=C(C=C1)CNC2=C(C=C(C=C2)N)Cl
InChI
InChI=1S/C13H13ClN2/c14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-8,16H,9,15H2
InChIKey
XFSGBXYTDKQHRA-UHFFFAOYSA-N
Compound name
1-N-benzyl-2-chlorobenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

232.07672 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.083996 150.7
[M+Na]+ 255.065938 158.8
[M-H]- 231.069444 156.9
[M+NH4]+ 250.110543 168.7
[M+K]+ 271.039878 152.7
[M+H-H2O]+ 215.073980 144.1
[M+HCOO]- 277.074921 172.2
[M+CH3COO]- 291.090571 194.2
[M+Na-2H]- 253.051386 157.0
[M]+ 232.07617142 150.0
[M]- 232.07726858 150.0
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