CID 88168658

Dtxsid401338696

Structural Information

Molecular Formula
C15H13ClN2
SMILES
C1=CC=C(C=C1)N/C=C(\C=NC2=CC=CC=C2)/Cl
InChI
InChI=1S/C15H13ClN2/c16-13(11-17-14-7-3-1-4-8-14)12-18-15-9-5-2-6-10-15/h1-12,17H/b13-11+,18-12?
InChIKey
RUZFGJKXFPPZJN-OWISRODJSA-N
Compound name
N-[(E)-2-chloro-3-phenyliminoprop-1-enyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

256.07672 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08400 158.3
[M+Na]+ 279.06594 164.5
[M-H]- 255.06944 165.4
[M+NH4]+ 274.11054 175.5
[M+K]+ 295.03988 158.3
[M+H-H2O]+ 239.07398 150.7
[M+HCOO]- 301.07492 180.6
[M+CH3COO]- 315.09057 199.0
[M+Na-2H]- 277.05139 165.1
[M]+ 256.07617 158.2
[M]- 256.07727 158.2
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