CID 72214609

6-bromo-3,3-dimethyl-2,3-dihydro-1-benzofuran

Structural Information

Molecular Formula
C10H11BrO
SMILES
CC1(COC2=C1C=CC(=C2)Br)C
InChI
InChI=1S/C10H11BrO/c1-10(2)6-12-9-5-7(11)3-4-8(9)10/h3-5H,6H2,1-2H3
InChIKey
UCPHBYAQDAORRE-UHFFFAOYSA-N
Compound name
6-bromo-3,3-dimethyl-2H-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

225.99933 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.006606 142.3
[M+Na]+ 248.988548 155.7
[M-H]- 224.992054 150.7
[M+NH4]+ 244.033153 168.0
[M+K]+ 264.962488 146.2
[M+H-H2O]+ 208.996590 144.2
[M+HCOO]- 270.997531 162.7
[M+CH3COO]- 285.013181 186.2
[M+Na-2H]- 246.973996 150.9
[M]+ 225.99878142 162.4
[M]- 225.99987858 162.4
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

patents stripe