CID 11138857

140896-85-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

225.99933 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.00661 143.4
[M+Na]+ 248.98855 147.3
[M+NH4]+ 244.03315 150.9
[M+K]+ 264.96249 146.5
[M-H]- 224.99205 145.8
[M+Na-2H]- 246.97400 147.1
[M]+ 225.99878 143.8
[M]- 225.99988 143.8
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