CID 12655451

3-(bromomethyl)-3-methyl-2,3-dihydro-1-benzofuran

Structural Information

Molecular Formula
C10H11BrO
SMILES
CC1(COC2=CC=CC=C21)CBr
InChI
InChI=1S/C10H11BrO/c1-10(6-11)7-12-9-5-3-2-4-8(9)10/h2-5H,6-7H2,1H3
InChIKey
MKNLENXLMBLUQS-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-3-methyl-2H-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.99933 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.006606 143.2
[M+Na]+ 248.988548 155.7
[M-H]- 224.992054 151.2
[M+NH4]+ 244.033153 168.6
[M+K]+ 264.962488 146.2
[M+H-H2O]+ 208.996590 144.9
[M+HCOO]- 270.997531 163.7
[M+CH3COO]- 285.013181 159.3
[M+Na-2H]- 246.973996 152.4
[M]+ 225.99878142 163.0
[M]- 225.99987858 163.0
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.