CID 217196

4h-1-benzopyran-2-carbonitrile, 8-bromo-6-methyl-4-oxo-

Structural Information

Molecular Formula
C11H6BrNO2
SMILES
CC1=CC2=C(C(=C1)Br)OC(=CC2=O)C#N
InChI
InChI=1S/C11H6BrNO2/c1-6-2-8-10(14)4-7(5-13)15-11(8)9(12)3-6/h2-4H,1H3
InChIKey
UWMLCDSZGKJKIK-UHFFFAOYSA-N
Compound name
8-bromo-6-methyl-4-oxochromene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.9582 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.96548 144.8
[M+Na]+ 285.94742 161.4
[M-H]- 261.95092 151.3
[M+NH4]+ 280.99202 163.5
[M+K]+ 301.92136 149.5
[M+H-H2O]+ 245.95546 138.3
[M+HCOO]- 307.95640 164.5
[M+CH3COO]- 321.97205 204.3
[M+Na-2H]- 283.93287 153.2
[M]+ 262.95765 159.7
[M]- 262.95875 159.7
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.