CID 13051067

62618-72-8

Structural Information

Molecular Formula
C12H12BrNO2
SMILES
CC(C(=O)C1=CC2=C(C=C1)NC(=O)CC2)Br
InChI
InChI=1S/C12H12BrNO2/c1-7(13)12(16)9-2-4-10-8(6-9)3-5-11(15)14-10/h2,4,6-7H,3,5H2,1H3,(H,14,15)
InChIKey
LJJPTQNZBAIGAX-UHFFFAOYSA-N
Compound name
6-(2-bromopropanoyl)-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

281.00513 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.01241 154.7
[M+Na]+ 303.99435 164.3
[M-H]- 279.99785 158.7
[M+NH4]+ 299.03895 173.2
[M+K]+ 319.96829 152.6
[M+H-H2O]+ 264.00239 154.4
[M+HCOO]- 326.00333 169.0
[M+CH3COO]- 340.01898 194.7
[M+Na-2H]- 301.97980 159.2
[M]+ 281.00458 170.0
[M]- 281.00568 170.0
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