CID 28065378

2-(2-bromoethoxy)-1-chloro-4-methylbenzene

Structural Information

Molecular Formula
C9H10BrClO
SMILES
CC1=CC(=C(C=C1)Cl)OCCBr
InChI
InChI=1S/C9H10BrClO/c1-7-2-3-8(11)9(6-7)12-5-4-10/h2-3,6H,4-5H2,1H3
InChIKey
DGTRQYPWARXPLQ-UHFFFAOYSA-N
Compound name
2-(2-bromoethoxy)-1-chloro-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

247.96036 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.96764 141.9
[M+Na]+ 270.94958 155.3
[M-H]- 246.95308 148.4
[M+NH4]+ 265.99418 164.3
[M+K]+ 286.92352 142.8
[M+H-H2O]+ 230.95762 143.2
[M+HCOO]- 292.95856 159.7
[M+CH3COO]- 306.97421 189.6
[M+Na-2H]- 268.93503 149.4
[M]+ 247.95981 164.2
[M]- 247.96091 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

literature stripe

Patent stripe

patents stripe