CID 146015

1-bromo-4-(4-bromobutoxy)butane

Structural Information

Molecular Formula
C8H16Br2O
SMILES
C(CCBr)COCCCCBr
InChI
InChI=1S/C8H16Br2O/c9-5-1-3-7-11-8-4-2-6-10/h1-8H2
InChIKey
YMNORPXRNJKRRR-UHFFFAOYSA-N
Compound name
1-bromo-4-(4-bromobutoxy)butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

193
Patents

285.9568 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.96408 143.8
[M+Na]+ 308.94602 153.4
[M-H]- 284.94952 147.4
[M+NH4]+ 303.99062 163.4
[M+K]+ 324.91996 137.8
[M+H-H2O]+ 268.95406 151.4
[M+HCOO]- 330.95500 159.4
[M+CH3COO]- 344.97065 203.0
[M+Na-2H]- 306.93147 150.6
[M]+ 285.95625 179.9
[M]- 285.95735 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

literature stripe

Patent stripe

patents stripe