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]+ 259.063276 158.2
[M+Na]+ 281.045218 168.8
[M-H]- 257.048724 166.1
[M+NH4]+ 276.089823 176.4
[M+K]+ 297.019158 164.0
[M+H-H2O]+ 241.053260 151.2
[M+HCOO]- 303.054201 177.2
[M+CH3COO]- 317.069851 171.4
[M+Na-2H]- 279.030666 158.0
[M]+ 258.05545142 161.3
[M]- 258.05654858 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.