CID 56246

91480-92-1

Structural Information

Molecular Formula
C13H12Cl2N2O
SMILES
CC1=C(C(=C(N1)C2=CC(=C(C=C2)Cl)Cl)N)C(=O)C
InChI
InChI=1S/C13H12Cl2N2O/c1-6-11(7(2)18)12(16)13(17-6)8-3-4-9(14)10(15)5-8/h3-5,17H,16H2,1-2H3
InChIKey
QYFTYNDVFQJBRY-UHFFFAOYSA-N
Compound name
1-[4-amino-5-(3,4-dichlorophenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.03265 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.03993 162.4
[M+Na]+ 305.02187 173.6
[M-H]- 281.02537 166.4
[M+NH4]+ 300.06647 179.6
[M+K]+ 320.99581 166.1
[M+H-H2O]+ 265.02991 157.0
[M+HCOO]- 327.03085 175.0
[M+CH3COO]- 341.04650 199.4
[M+Na-2H]- 303.00732 161.2
[M]+ 282.03210 164.1
[M]- 282.03320 164.1
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.