CID 466932

1-(2-bromopropanoyl)-2h-quinoline-2-carbonitrile

Structural Information

Molecular Formula
C13H11BrN2O
SMILES
CC(C(=O)N1C(C=CC2=CC=CC=C21)C#N)Br
InChI
InChI=1S/C13H11BrN2O/c1-9(14)13(17)16-11(8-15)7-6-10-4-2-3-5-12(10)16/h2-7,9,11H,1H3
InChIKey
WOCODSVMRWTGEB-UHFFFAOYSA-N
Compound name
1-(2-bromopropanoyl)-2H-quinoline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

290.0055 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.01278 156.2
[M+Na]+ 312.99472 168.9
[M-H]- 288.99822 159.6
[M+NH4]+ 308.03932 173.1
[M+K]+ 328.96866 155.9
[M+H-H2O]+ 273.00276 148.7
[M+HCOO]- 335.00370 171.8
[M+CH3COO]- 349.01935 208.9
[M+Na-2H]- 310.98017 161.1
[M]+ 290.00495 167.3
[M]- 290.00605 167.3
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

No patent data available for this compound.