CID 95667

1-(2-bromoethoxy)-4-methylbenzene

Structural Information

Molecular Formula
C9H11BrO
SMILES
CC1=CC=C(C=C1)OCCBr
InChI
InChI=1S/C9H11BrO/c1-8-2-4-9(5-3-8)11-7-6-10/h2-5H,6-7H2,1H3
InChIKey
VCYNKCKSPFGUSA-UHFFFAOYSA-N
Compound name
1-(2-bromoethoxy)-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

213.99933 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.00661 137.4
[M+Na]+ 236.98855 141.7
[M+NH4]+ 232.03315 143.2
[M+K]+ 252.96249 140.6
[M-H]- 212.99205 138.7
[M+Na-2H]- 234.97400 142.1
[M]+ 213.99878 137.3
[M]- 213.99988 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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