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]+ 241.02226 146.8
[M+Na]+ 263.00420 156.7
[M-H]- 239.00770 153.9
[M+NH4]+ 258.04880 167.8
[M+K]+ 278.97814 147.0
[M+H-H2O]+ 223.01224 147.1
[M+HCOO]- 285.01318 164.7
[M+CH3COO]- 299.02883 188.7
[M+Na-2H]- 260.98965 155.8
[M]+ 240.01443 164.4
[M]- 240.01553 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.