CID 5323595

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

225.99933 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.00661 142.3
[M+Na]+ 248.98855 155.7
[M-H]- 224.99205 150.7
[M+NH4]+ 244.03315 168.0
[M+K]+ 264.96249 146.2
[M+H-H2O]+ 208.99659 144.2
[M+HCOO]- 270.99753 162.7
[M+CH3COO]- 285.01318 186.2
[M+Na-2H]- 246.97400 150.9
[M]+ 225.99878 162.4
[M]- 225.99988 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