CID 2512404

23694-02-2

Structural Information

Molecular Formula
C7H8ClNO
SMILES
CN1C=CC=C1C(=O)CCl
InChI
InChI=1S/C7H8ClNO/c1-9-4-2-3-6(9)7(10)5-8/h2-4H,5H2,1H3
InChIKey
XOKIPANBKVPEEZ-UHFFFAOYSA-N
Compound name
2-chloro-1-(1-methylpyrrol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

157.02943 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.03671 129.7
[M+Na]+ 180.01865 139.6
[M-H]- 156.02215 132.2
[M+NH4]+ 175.06325 152.1
[M+K]+ 195.99259 136.7
[M+H-H2O]+ 140.02669 124.5
[M+HCOO]- 202.02763 149.1
[M+CH3COO]- 216.04328 175.0
[M+Na-2H]- 178.00410 134.2
[M]+ 157.02888 132.3
[M]- 157.02998 132.3
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

patents stripe