CID 68560260

4-bromo-1-(bromomethyl)-2-propoxybenzene

Structural Information

Molecular Formula
C10H12Br2O
SMILES
CCCOC1=C(C=CC(=C1)Br)CBr
InChI
InChI=1S/C10H12Br2O/c1-2-5-13-10-6-9(12)4-3-8(10)7-11/h3-4,6H,2,5,7H2,1H3
InChIKey
UAMWXYVWWCGNCH-UHFFFAOYSA-N
Compound name
4-bromo-1-(bromomethyl)-2-propoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

305.92548 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.93276 144.2
[M+Na]+ 328.91470 155.0
[M-H]- 304.91820 150.9
[M+NH4]+ 323.95930 163.4
[M+K]+ 344.88864 139.7
[M+H-H2O]+ 288.92274 152.2
[M+HCOO]- 350.92368 160.6
[M+CH3COO]- 364.93933 205.5
[M+Na-2H]- 326.90015 151.1
[M]+ 305.92493 179.9
[M]- 305.92603 179.9
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