CID 272004

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

Structural Information

Molecular Formula
C10H11BrO
SMILES
CC1(CC2=C(O1)C(=CC=C2)Br)C
InChI
InChI=1S/C10H11BrO/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5H,6H2,1-2H3
InChIKey
XTVAFNBOFMUWAK-UHFFFAOYSA-N
Compound name
7-bromo-2,2-dimethyl-3H-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

225.99933 Da
Monoisotopic Mass

3.1
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

literature stripe

Patent stripe

patents stripe