CID 2387148

750611-31-5

Structural Information

Molecular Formula
C10H12ClNO2
SMILES
CC1=C(NC(=C1C(=O)C)C)C(=O)CCl
InChI
InChI=1S/C10H12ClNO2/c1-5-9(7(3)13)6(2)12-10(5)8(14)4-11/h12H,4H2,1-3H3
InChIKey
FAWXPXHWQQPVFU-UHFFFAOYSA-N
Compound name
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-chloroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.05565 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06293 145.2
[M+Na]+ 236.04487 156.5
[M+NH4]+ 231.08947 152.1
[M+K]+ 252.01881 153.3
[M-H]- 212.04837 144.5
[M+Na-2H]- 234.03032 148.3
[M]+ 213.05510 146.6
[M]- 213.05620 146.6
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.