CID 103985209

1-bromo-4-(1-bromo-3-methoxypropan-2-yl)benzene

Structural Information

Molecular Formula
C10H12Br2O
SMILES
COCC(CBr)C1=CC=C(C=C1)Br
InChI
InChI=1S/C10H12Br2O/c1-13-7-9(6-11)8-2-4-10(12)5-3-8/h2-5,9H,6-7H2,1H3
InChIKey
IJRABZMYCVLMAO-UHFFFAOYSA-N
Compound name
1-bromo-4-(1-bromo-3-methoxypropan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.92548 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.93276 146.3
[M+Na]+ 328.91470 156.2
[M-H]- 304.91820 152.8
[M+NH4]+ 323.95930 165.2
[M+K]+ 344.88864 141.2
[M+H-H2O]+ 288.92274 154.2
[M+HCOO]- 350.92368 161.9
[M+CH3COO]- 364.93933 205.3
[M+Na-2H]- 326.90015 152.6
[M]+ 305.92493 181.2
[M]- 305.92603 181.2
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

No patent data available for this compound.