CID 15092968

1,1,3-tribromo-2-methylprop-1-ene

Structural Information

Molecular Formula
C4H5Br3
SMILES
CC(=C(Br)Br)CBr
InChI
InChI=1S/C4H5Br3/c1-3(2-5)4(6)7/h2H2,1H3
InChIKey
YMNPPTDVRAOVKV-UHFFFAOYSA-N
Compound name
1,1,3-tribromo-2-methylprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

289.79413 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.80141 132.5
[M+Na]+ 312.78335 140.8
[M-H]- 288.78685 136.5
[M+NH4]+ 307.82795 149.0
[M+K]+ 328.75729 125.1
[M+H-H2O]+ 272.79139 147.4
[M+HCOO]- 334.79233 142.2
[M+CH3COO]- 348.80798 213.9
[M+Na-2H]- 310.76880 137.8
[M]+ 289.79358 172.0
[M]- 289.79468 172.0
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

patents stripe