CID 16217305

295806-73-4

Structural Information

Molecular Formula
C16H24Br2O2
SMILES
CCCCOC1=CC(=C(C=C1CBr)OCCCC)CBr
InChI
InChI=1S/C16H24Br2O2/c1-3-5-7-19-15-9-14(12-18)16(10-13(15)11-17)20-8-6-4-2/h9-10H,3-8,11-12H2,1-2H3
InChIKey
BUVBOWIHOSQPQT-UHFFFAOYSA-N
Compound name
1,4-bis(bromomethyl)-2,5-dibutoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

406.0143 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.02158 170.3
[M+Na]+ 429.00352 179.5
[M-H]- 405.00702 176.3
[M+NH4]+ 424.04812 186.5
[M+K]+ 444.97746 163.4
[M+H-H2O]+ 389.01156 176.9
[M+HCOO]- 451.01250 185.0
[M+CH3COO]- 465.02815 221.3
[M+Na-2H]- 426.98897 173.7
[M]+ 406.01375 208.8
[M]- 406.01485 208.8
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