CID 16227058

929973-94-4

Structural Information

Molecular Formula
C11H11ClN2O3
SMILES
C1CC2=C(C=CC(=C2)[N+](=O)[O-])N(C1)C(=O)CCl
InChI
InChI=1S/C11H11ClN2O3/c12-7-11(15)13-5-1-2-8-6-9(14(16)17)3-4-10(8)13/h3-4,6H,1-2,5,7H2
InChIKey
NVQFDNIBMSEAIY-UHFFFAOYSA-N
Compound name
2-chloro-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.04582 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.053096 152.1
[M+Na]+ 277.035038 158.8
[M-H]- 253.038544 154.6
[M+NH4]+ 272.079643 168.7
[M+K]+ 293.008978 151.2
[M+H-H2O]+ 237.043080 150.6
[M+HCOO]- 299.044021 167.6
[M+CH3COO]- 313.059671 186.8
[M+Na-2H]- 275.020486 158.6
[M]+ 254.04527142 150.9
[M]- 254.04636858 150.9
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.