CID 5001899

92733-83-0

Structural Information

Molecular Formula
C13H13ClN2
SMILES
C1=CC=NC(=C1)CCNC2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H13ClN2/c14-11-4-3-6-13(10-11)16-9-7-12-5-1-2-8-15-12/h1-6,8,10,16H,7,9H2
InChIKey
MIVSCJLFCYLECS-UHFFFAOYSA-N
Compound name
3-chloro-N-(2-pyridin-2-ylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.07672 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08400 150.0
[M+Na]+ 255.06594 157.9
[M-H]- 231.06944 154.8
[M+NH4]+ 250.11054 166.9
[M+K]+ 271.03988 152.1
[M+H-H2O]+ 215.07398 142.2
[M+HCOO]- 277.07492 169.7
[M+CH3COO]- 291.09057 162.3
[M+Na-2H]- 253.05139 157.8
[M]+ 232.07617 151.0
[M]- 232.07727 151.0
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

No patent data available for this compound.