CID 167730661

6-bromo-8-(chloromethyl)-3,4-dihydro-2h-1-benzopyran

Structural Information

Molecular Formula
C10H10BrClO
SMILES
C1CC2=C(C(=CC(=C2)Br)CCl)OC1
InChI
InChI=1S/C10H10BrClO/c11-9-4-7-2-1-3-13-10(7)8(5-9)6-12/h4-5H,1-3,6H2
InChIKey
OECJVARTDUBPEN-UHFFFAOYSA-N
Compound name
6-bromo-8-(chloromethyl)-3,4-dihydro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.96036 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.967636 147.4
[M+Na]+ 282.949578 159.7
[M-H]- 258.953084 154.9
[M+NH4]+ 277.994183 168.9
[M+K]+ 298.923518 148.3
[M+H-H2O]+ 242.957620 148.8
[M+HCOO]- 304.958561 161.3
[M+CH3COO]- 318.974211 162.4
[M+Na-2H]- 280.935026 156.0
[M]+ 259.95981142 167.0
[M]- 259.96090858 167.0
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.