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

13
Patents

240.03017 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.03745 150.4
[M+Na]+ 263.01939 158.4
[M-H]- 239.02289 153.5
[M+NH4]+ 258.06399 169.4
[M+K]+ 278.99333 150.8
[M+H-H2O]+ 223.02743 149.5
[M+HCOO]- 285.02837 168.3
[M+CH3COO]- 299.04402 183.3
[M+Na-2H]- 261.00484 155.9
[M]+ 240.02962 150.7
[M]- 240.03072 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