CID 112693018

90869-66-2

Structural Information

Molecular Formula
C10H12ClNO
SMILES
CC(C(=O)C1=CC=CC=C1Cl)NC
InChI
InChI=1S/C10H12ClNO/c1-7(12-2)10(13)8-5-3-4-6-9(8)11/h3-7,12H,1-2H3
InChIKey
UHVGPEBZWPKWNT-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-2-(methylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06075 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.06803 141.1
[M+Na]+ 220.04997 153.7
[M+NH4]+ 215.09457 149.9
[M+K]+ 236.02391 147.2
[M-H]- 196.05347 143.7
[M+Na-2H]- 218.03542 147.9
[M]+ 197.06020 143.9
[M]- 197.06130 143.9
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.