CID 1537038

379244-16-3

Structural Information

Molecular Formula
C13H14ClNO2
SMILES
CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CCl
InChI
InChI=1S/C13H14ClNO2/c1-9-6-12(13(16)7-14)10(2)15(9)8-11-4-3-5-17-11/h3-6H,7-8H2,1-2H3
InChIKey
FESSGZXDFUKCDD-UHFFFAOYSA-N
Compound name
2-chloro-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

251.0713 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.07858 153.6
[M+Na]+ 274.06052 167.4
[M+NH4]+ 269.10512 161.6
[M+K]+ 290.03446 164.5
[M-H]- 250.06402 157.2
[M+Na-2H]- 272.04597 159.8
[M]+ 251.07075 156.9
[M]- 251.07185 156.9
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.