CID 135465454

Bdbm84498

Structural Information

Molecular Formula
C14H11ClN2O
SMILES
C/C(=C/1\C=CC=N1)/C2=CC=C(O2)C3=C(C=CN3)Cl
InChI
InChI=1S/C14H11ClN2O/c1-9(11-3-2-7-16-11)12-4-5-13(18-12)14-10(15)6-8-17-14/h2-8,17H,1H3/b11-9-
InChIKey
VWJRWXBCKCWRBQ-LUAWRHEFSA-N
Compound name
3-chloro-2-[5-[(1Z)-1-pyrrol-2-ylideneethyl]furan-2-yl]-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

258.056 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06328 158.2
[M+Na]+ 281.04522 168.8
[M-H]- 257.04872 166.1
[M+NH4]+ 276.08982 176.4
[M+K]+ 297.01916 164.0
[M+H-H2O]+ 241.05326 151.2
[M+HCOO]- 303.05420 177.2
[M+CH3COO]- 317.06985 171.4
[M+Na-2H]- 279.03067 158.0
[M]+ 258.05545 161.3
[M]- 258.05655 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.