CID 58197730

1,5-dibromo-3-methoxypentane

Structural Information

Molecular Formula
C6H12Br2O
SMILES
COC(CCBr)CCBr
InChI
InChI=1S/C6H12Br2O/c1-9-6(2-4-7)3-5-8/h6H,2-5H2,1H3
InChIKey
QVFKOFZDLSELCQ-UHFFFAOYSA-N
Compound name
1,5-dibromo-3-methoxypentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

257.92548 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.93276 137.2
[M+Na]+ 280.91470 147.2
[M-H]- 256.91820 141.1
[M+NH4]+ 275.95930 157.6
[M+K]+ 296.88864 132.3
[M+H-H2O]+ 240.92274 145.1
[M+HCOO]- 302.92368 152.5
[M+CH3COO]- 316.93933 199.1
[M+Na-2H]- 278.90015 143.8
[M]+ 257.92493 172.2
[M]- 257.92603 172.2
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