CID 14989173

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

Structural Information

Molecular Formula
C9H10BrClO2
SMILES
COC1=CC(=C(C=C1)OCCBr)Cl
InChI
InChI=1S/C9H10BrClO2/c1-12-7-2-3-9(8(11)6-7)13-5-4-10/h2-3,6H,4-5H2,1H3
InChIKey
RPIKVGBCIYYKDF-UHFFFAOYSA-N
Compound name
1-(2-bromoethoxy)-2-chloro-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

263.95526 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.96254 144.4
[M+Na]+ 286.94448 157.7
[M-H]- 262.94798 151.0
[M+NH4]+ 281.98908 166.2
[M+K]+ 302.91842 145.7
[M+H-H2O]+ 246.95252 145.5
[M+HCOO]- 308.95346 162.5
[M+CH3COO]- 322.96911 191.4
[M+Na-2H]- 284.92993 152.0
[M]+ 263.95471 168.1
[M]- 263.95581 168.1
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

patents stripe