CID 5932852

Nsc 122410

Structural Information

Molecular Formula
C16H11Cl2N
SMILES
C1=CC=C\2C(=C1)C=C/C2=C/C3=CC(=C(C(=C3)Cl)N)Cl
InChI
InChI=1S/C16H11Cl2N/c17-14-8-10(9-15(18)16(14)19)7-12-6-5-11-3-1-2-4-13(11)12/h1-9H,19H2/b12-7-
InChIKey
SZRDIKBVYMWOHQ-GHXNOFRVSA-N
Compound name
2,6-dichloro-4-[(Z)-inden-1-ylidenemethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.02686 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.03414 166.0
[M+Na]+ 310.01608 177.7
[M-H]- 286.01958 173.0
[M+NH4]+ 305.06068 185.9
[M+K]+ 325.99002 168.6
[M+H-H2O]+ 270.02412 160.6
[M+HCOO]- 332.02506 181.1
[M+CH3COO]- 346.04071 178.6
[M+Na-2H]- 308.00153 168.3
[M]+ 287.02631 168.1
[M]- 287.02741 168.1
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.