CID 165790141

En300-33050332

Structural Information

Molecular Formula
C10H11BrO
SMILES
C[C@@H]1[C@@H](OC2=CC=CC=C12)CBr
InChI
InChI=1S/C10H11BrO/c1-7-8-4-2-3-5-9(8)12-10(7)6-11/h2-5,7,10H,6H2,1H3/t7-,10-/m0/s1
InChIKey
DTWJGTYRLLCCFP-XVKPBYJWSA-N
Compound name
(2R,3S)-2-(bromomethyl)-3-methyl-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.99933 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.006606 144.6
[M+Na]+ 248.988548 157.0
[M-H]- 224.992054 152.6
[M+NH4]+ 244.033153 168.4
[M+K]+ 264.962488 147.4
[M+H-H2O]+ 208.996590 145.8
[M+HCOO]- 270.997531 164.9
[M+CH3COO]- 285.013181 186.6
[M+Na-2H]- 246.973996 152.0
[M]+ 225.99878142 164.2
[M]- 225.99987858 164.2
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.