CID 16227059

1-(chloroacetyl)-5-nitroindoline

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 146.2
[M+Na]+ 263.01939 159.0
[M+NH4]+ 258.06399 154.4
[M+K]+ 278.99333 157.2
[M-H]- 239.02289 148.3
[M+Na-2H]- 261.00484 150.6
[M]+ 240.02962 148.6
[M]- 240.03072 148.6
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