CID 176897

1-(2-chloroacetyl)indoline

Structural Information

Molecular Formula
C10H10ClNO
SMILES
C1CN(C2=CC=CC=C21)C(=O)CCl
InChI
InChI=1S/C10H10ClNO/c11-7-10(13)12-6-5-8-3-1-2-4-9(8)12/h1-4H,5-7H2
InChIKey
ARHQTTKUMFDVJJ-UHFFFAOYSA-N
Compound name
2-chloro-1-(2,3-dihydroindol-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

195.04509 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05237 140.6
[M+Na]+ 218.03431 149.8
[M-H]- 194.03781 143.6
[M+NH4]+ 213.07891 162.5
[M+K]+ 234.00825 145.5
[M+H-H2O]+ 178.04235 135.0
[M+HCOO]- 240.04329 157.6
[M+CH3COO]- 254.05894 181.0
[M+Na-2H]- 216.01976 145.4
[M]+ 195.04454 141.8
[M]- 195.04564 141.8
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