CID 12454502

1-bromo-3-iodopropane

Structural Information

Molecular Formula
C3H6BrI
SMILES
C(CBr)CI
InChI
InChI=1S/C3H6BrI/c4-2-1-3-5/h1-3H2
InChIKey
ITCHTIHSVATQQI-UHFFFAOYSA-N
Compound name
1-bromo-3-iodopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

268
Patents

247.86977 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.87705 129.9
[M+Na]+ 270.85899 134.8
[M-H]- 246.86249 126.9
[M+NH4]+ 265.90359 150.1
[M+K]+ 286.83293 131.2
[M+H-H2O]+ 230.86703 127.7
[M+HCOO]- 292.86797 147.1
[M+CH3COO]- 306.88362 181.3
[M+Na-2H]- 268.84444 127.4
[M]+ 247.86922 145.1
[M]- 247.87032 145.1
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