CID 3645197

209625-37-6

Structural Information

Molecular Formula
C17H26Br2O2
SMILES
CCCCC(CC)COC1=CC(=C(C=C1CBr)OC)CBr
InChI
InChI=1S/C17H26Br2O2/c1-4-6-7-13(5-2)12-21-17-9-14(10-18)16(20-3)8-15(17)11-19/h8-9,13H,4-7,10-12H2,1-3H3
InChIKey
WFGYUUWEXFKLCS-UHFFFAOYSA-N
Compound name
1,4-bis(bromomethyl)-2-(2-ethylhexoxy)-5-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

420.02997 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.03725 175.9
[M+Na]+ 443.01919 170.3
[M+NH4]+ 438.06379 177.0
[M+K]+ 458.99313 175.4
[M-H]- 419.02269 176.3
[M+Na-2H]- 441.00464 175.5
[M]+ 420.02942 174.1
[M]- 420.03052 174.1
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