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]+ 224.08367 149.5
[M+Na]+ 246.06561 158.4
[M-H]- 222.06911 152.7
[M+NH4]+ 241.11021 170.5
[M+K]+ 262.03955 154.2
[M+H-H2O]+ 206.07365 144.0
[M+HCOO]- 268.07459 164.8
[M+CH3COO]- 282.09024 189.0
[M+Na-2H]- 244.05106 151.4
[M]+ 223.07584 151.2
[M]- 223.07694 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.