CID 13759495

2-bromo-3-iodoprop-1-ene

Structural Information

Molecular Formula
C3H4BrI
SMILES
C=C(CI)Br
InChI
InChI=1S/C3H4BrI/c1-3(4)2-5/h1-2H2
InChIKey
QFTBPDJMDCDXSK-UHFFFAOYSA-N
Compound name
2-bromo-3-iodoprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

245.85411 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.86139 128.0
[M+Na]+ 268.84333 133.0
[M-H]- 244.84683 125.1
[M+NH4]+ 263.88793 148.2
[M+K]+ 284.81727 129.2
[M+H-H2O]+ 228.85137 125.9
[M+HCOO]- 290.85231 144.5
[M+CH3COO]- 304.86796 181.2
[M+Na-2H]- 266.82878 124.5
[M]+ 245.85356 142.0
[M]- 245.85466 142.0
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