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]+ 260.96764 147.4
[M+Na]+ 282.94958 159.7
[M-H]- 258.95308 154.9
[M+NH4]+ 277.99418 168.9
[M+K]+ 298.92352 148.3
[M+H-H2O]+ 242.95762 148.8
[M+HCOO]- 304.95856 161.3
[M+CH3COO]- 318.97421 162.4
[M+Na-2H]- 280.93503 156.0
[M]+ 259.95981 167.0
[M]- 259.96091 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.