CID 139328426

6-bromo-1,1-dimethyl-3,4-dihydro-1h-2-benzopyran

Structural Information

Molecular Formula
C11H13BrO
SMILES
CC1(C2=C(CCO1)C=C(C=C2)Br)C
InChI
InChI=1S/C11H13BrO/c1-11(2)10-4-3-9(12)7-8(10)5-6-13-11/h3-4,7H,5-6H2,1-2H3
InChIKey
RXMAYPXTBQWALE-UHFFFAOYSA-N
Compound name
6-bromo-1,1-dimethyl-3,4-dihydroisochromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

240.01498 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.022256 144.7
[M+Na]+ 263.004198 156.4
[M-H]- 239.007704 152.6
[M+NH4]+ 258.048803 168.0
[M+K]+ 278.978138 147.0
[M+H-H2O]+ 223.012240 145.8
[M+HCOO]- 285.013181 162.7
[M+CH3COO]- 299.028831 189.3
[M+Na-2H]- 260.989646 154.3
[M]+ 240.01443142 163.2
[M]- 240.01552858 163.2
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

patents stripe