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]+ 233.08400 150.7
[M+Na]+ 255.06594 158.8
[M-H]- 231.06944 156.9
[M+NH4]+ 250.11054 168.7
[M+K]+ 271.03988 152.7
[M+H-H2O]+ 215.07398 144.1
[M+HCOO]- 277.07492 172.2
[M+CH3COO]- 291.09057 194.2
[M+Na-2H]- 253.05139 157.0
[M]+ 232.07617 150.0
[M]- 232.07727 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