CID 16227059

87866-11-3

Structural Information

Molecular Formula
C10H9ClN2O3
SMILES
C1CN(C2=C1C=C(C=C2)[N+](=O)[O-])C(=O)CCl
InChI
InChI=1S/C10H9ClN2O3/c11-6-10(14)12-4-3-7-5-8(13(15)16)1-2-9(7)12/h1-2,5H,3-4,6H2
InChIKey
KGIVJRJHRKEQAA-UHFFFAOYSA-N
Compound name
2-chloro-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

240.03017 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.037446 150.4
[M+Na]+ 263.019388 158.4
[M-H]- 239.022894 153.5
[M+NH4]+ 258.063993 169.4
[M+K]+ 278.993328 150.8
[M+H-H2O]+ 223.027430 149.5
[M+HCOO]- 285.028371 168.3
[M+CH3COO]- 299.044021 183.3
[M+Na-2H]- 261.004836 155.9
[M]+ 240.02962142 150.7
[M]- 240.03071858 150.7
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

patents stripe