CID 13135170

90181-94-5

Structural Information

Molecular Formula
C11H11BrN2O2
SMILES
CC(=O)N1CC/C(=N\O)/C2=C1C=CC(=C2)Br
InChI
InChI=1S/C11H11BrN2O2/c1-7(15)14-5-4-10(13-16)9-6-8(12)2-3-11(9)14/h2-3,6,16H,4-5H2,1H3/b13-10+
InChIKey
YSEKTWYSDQTJBX-JLHYYAGUSA-N
Compound name
1-[(4E)-6-bromo-4-hydroxyimino-2,3-dihydroquinolin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

282.0004 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.00768 152.5
[M+Na]+ 304.98962 163.3
[M-H]- 280.99312 158.2
[M+NH4]+ 300.03422 171.7
[M+K]+ 320.96356 152.0
[M+H-H2O]+ 264.99766 151.5
[M+HCOO]- 326.99860 170.5
[M+CH3COO]- 341.01425 197.9
[M+Na-2H]- 302.97507 158.9
[M]+ 281.99985 169.3
[M]- 282.00095 169.3
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