CID 5219421

568566-38-1

Structural Information

Molecular Formula
C12H14ClNO
SMILES
CC1CC2=CC=CC=C2N1C(=O)C(C)Cl
InChI
InChI=1S/C12H14ClNO/c1-8-7-10-5-3-4-6-11(10)14(8)12(15)9(2)13/h3-6,8-9H,7H2,1-2H3
InChIKey
SJHLFEZNQZDFMP-UHFFFAOYSA-N
Compound name
2-chloro-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.07639 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.083666 149.5
[M+Na]+ 246.065608 158.4
[M-H]- 222.069114 152.7
[M+NH4]+ 241.110213 170.5
[M+K]+ 262.039548 154.2
[M+H-H2O]+ 206.073650 144.0
[M+HCOO]- 268.074591 164.8
[M+CH3COO]- 282.090241 189.0
[M+Na-2H]- 244.051056 151.4
[M]+ 223.07584142 151.2
[M]- 223.07693858 151.2
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.