CID 89852966

5-bromo-3-methyl-3,4-dihydro-1h-2-benzopyran

Structural Information

Molecular Formula
C10H11BrO
SMILES
CC1CC2=C(CO1)C=CC=C2Br
InChI
InChI=1S/C10H11BrO/c1-7-5-9-8(6-12-7)3-2-4-10(9)11/h2-4,7H,5-6H2,1H3
InChIKey
OAUHIEKPRZNTAT-UHFFFAOYSA-N
Compound name
5-bromo-3-methyl-3,4-dihydro-1H-isochromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

225.99933 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.006606 141.7
[M+Na]+ 248.988548 153.0
[M-H]- 224.992054 149.4
[M+NH4]+ 244.033153 163.6
[M+K]+ 264.962488 143.5
[M+H-H2O]+ 208.996590 142.4
[M+HCOO]- 270.997531 160.0
[M+CH3COO]- 285.013181 157.0
[M+Na-2H]- 246.973996 150.7
[M]+ 225.99878142 159.4
[M]- 225.99987858 159.4
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.