CID 15840550

174894-80-5

Structural Information

Molecular Formula

C₁₁H₁₃BrO

SMILES

CC1(CCC2=C(O1)C=CC(=C2)Br)C

InChI

InChI=1S/C11H13BrO/c1-11(2)6-5-8-7-9(12)3-4-10(8)13-11/h3-4,7H,5-6H2,1-2H3

InChIKey

HOPZMALEQZMIAZ-UHFFFAOYSA-N

Compound name

6-bromo-2,2-dimethyl-3,4-dihydrochromene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 240.01498 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	241.02226	143.3
[M+Na]+	263.00420	148.0
[M+NH4]+	258.04880	151.0
[M+K]+	278.97814	145.4
[M-H]-	239.00770	146.5
[M+Na-2H]-	260.98965	148.0
[M]+	240.01443	144.0
[M]-	240.01553	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe