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 144.2
[M+Na]+ 236.04487 154.2
[M-H]- 212.04837 145.9
[M+NH4]+ 231.08947 164.1
[M+K]+ 252.01881 150.0
[M+H-H2O]+ 196.05291 139.6
[M+HCOO]- 258.05385 160.6
[M+CH3COO]- 272.06950 185.7
[M+Na-2H]- 234.03032 144.2
[M]+ 213.05510 147.0
[M]- 213.05620 147.0
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.