CID 42439

6-bromo-2h-chromene-3-carbonitrile

Structural Information

Molecular Formula
C10H6BrNO
SMILES
C1C(=CC2=C(O1)C=CC(=C2)Br)C#N
InChI
InChI=1S/C10H6BrNO/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-4H,6H2
InChIKey
SIAGUJHXCCKDQM-UHFFFAOYSA-N
Compound name
6-bromo-2H-chromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

234.96329 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.97057 139.6
[M+Na]+ 257.95251 154.2
[M-H]- 233.95601 145.4
[M+NH4]+ 252.99711 158.9
[M+K]+ 273.92645 142.4
[M+H-H2O]+ 217.96055 133.3
[M+HCOO]- 279.96149 158.2
[M+CH3COO]- 293.97714 153.7
[M+Na-2H]- 255.93796 148.9
[M]+ 234.96274 151.9
[M]- 234.96384 151.9
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

patents stripe