CID 93588

Einecs 260-637-7

Structural Information

Molecular Formula
C16H11N3
SMILES
CCN1C2=CC=CC3=C2C(=CC=C3)C1=C(C#N)C#N
InChI
InChI=1S/C16H11N3/c1-2-19-14-8-4-6-11-5-3-7-13(15(11)14)16(19)12(9-17)10-18/h3-8H,2H2,1H3
InChIKey
RSMGAXDNPYPPHB-UHFFFAOYSA-N
Compound name
2-(1-ethylbenzo[cd]indol-2-ylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.09529 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.10257 173.7
[M+Na]+ 268.08451 186.4
[M-H]- 244.08801 176.0
[M+NH4]+ 263.12911 186.8
[M+K]+ 284.05845 176.5
[M+H-H2O]+ 228.09255 157.5
[M+HCOO]- 290.09349 184.8
[M+CH3COO]- 304.10914 180.6
[M+Na-2H]- 266.06996 175.0
[M]+ 245.09474 167.5
[M]- 245.09584 167.5
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.