CID 75481902

2-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)acetonitrile

Structural Information

Molecular Formula
C10H8BrNO2
SMILES
C1COC2=C(O1)C=C(C=C2Br)CC#N
InChI
InChI=1S/C10H8BrNO2/c11-8-5-7(1-2-12)6-9-10(8)14-4-3-13-9/h5-6H,1,3-4H2
InChIKey
BDWOWSKYNMHXST-UHFFFAOYSA-N
Compound name
2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.97385 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.98113 141.9
[M+Na]+ 275.96307 155.7
[M-H]- 251.96657 147.8
[M+NH4]+ 271.00767 159.4
[M+K]+ 291.93701 145.4
[M+H-H2O]+ 235.97111 135.3
[M+HCOO]- 297.97205 158.7
[M+CH3COO]- 311.98770 155.5
[M+Na-2H]- 273.94852 151.3
[M]+ 252.97330 154.8
[M]- 252.97440 154.8
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.