CID 15042267

6-(2-bromoethyl)-3,4-dihydro-2h-1-benzopyran

Structural Information

Molecular Formula
C11H13BrO
SMILES
C1CC2=C(C=CC(=C2)CCBr)OC1
InChI
InChI=1S/C11H13BrO/c12-6-5-9-3-4-11-10(8-9)2-1-7-13-11/h3-4,8H,1-2,5-7H2
InChIKey
XIFOXQSPFUHMKR-UHFFFAOYSA-N
Compound name
6-(2-bromoethyl)-3,4-dihydro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.01498 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.022256 146.8
[M+Na]+ 263.004198 156.7
[M-H]- 239.007704 153.9
[M+NH4]+ 258.048803 167.8
[M+K]+ 278.978138 147.0
[M+H-H2O]+ 223.012240 147.1
[M+HCOO]- 285.013181 164.7
[M+CH3COO]- 299.028831 188.7
[M+Na-2H]- 260.989646 155.8
[M]+ 240.01443142 164.4
[M]- 240.01552858 164.4
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.