CID 137951532

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

Structural Information

Molecular Formula
C10H11BrO
SMILES
CC1C(OC2=C1C=C(C=C2)Br)C
InChI
InChI=1S/C10H11BrO/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-7H,1-2H3
InChIKey
SRFPLWAUHXFLAY-UHFFFAOYSA-N
Compound name
5-bromo-2,3-dimethyl-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.99933 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.00661 144.0
[M+Na]+ 248.98855 157.3
[M-H]- 224.99205 152.4
[M+NH4]+ 244.03315 168.1
[M+K]+ 264.96249 147.7
[M+H-H2O]+ 208.99659 145.4
[M+HCOO]- 270.99753 164.3
[M+CH3COO]- 285.01318 187.7
[M+Na-2H]- 246.97400 150.9
[M]+ 225.99878 164.0
[M]- 225.99988 164.0
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.