CID 83226

1,1-dibromo-1-propene

Structural Information

Molecular Formula
C3H4Br2
SMILES
CC=C(Br)Br
InChI
InChI=1S/C3H4Br2/c1-2-3(4)5/h2H,1H3
InChIKey
HTEJLXYOJZOXKM-UHFFFAOYSA-N
Compound name
1,1-dibromoprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1105
Patents

197.86798 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.87526 120.8
[M+Na]+ 220.85720 132.3
[M-H]- 196.86070 125.4
[M+NH4]+ 215.90180 143.2
[M+K]+ 236.83114 117.4
[M+H-H2O]+ 180.86524 129.7
[M+HCOO]- 242.86618 137.1
[M+CH3COO]- 256.88183 189.6
[M+Na-2H]- 218.84265 129.2
[M]+ 197.86743 153.4
[M]- 197.86853 153.4
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