CID 821972

251097-15-1

Structural Information

Molecular Formula
C12H15ClN2O
SMILES
C1CCN(C1)C2=CC=C(C=C2)NC(=O)CCl
InChI
InChI=1S/C12H15ClN2O/c13-9-12(16)14-10-3-5-11(6-4-10)15-7-1-2-8-15/h3-6H,1-2,7-9H2,(H,14,16)
InChIKey
FNVRQNQKCUANBZ-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-pyrrolidin-1-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0873 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.094576 154.1
[M+Na]+ 261.076518 160.2
[M-H]- 237.080024 158.7
[M+NH4]+ 256.121123 172.3
[M+K]+ 277.050458 155.7
[M+H-H2O]+ 221.084560 146.7
[M+HCOO]- 283.085501 171.5
[M+CH3COO]- 297.101151 190.3
[M+Na-2H]- 259.061966 156.5
[M]+ 238.08675142 152.5
[M]- 238.08784858 152.5
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.