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
2
Annotation Hits

0
References

1158
Patents

197.86798 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.875256 120.8
[M+Na]+ 220.857198 132.3
[M-H]- 196.860704 125.4
[M+NH4]+ 215.901803 143.2
[M+K]+ 236.831138 117.4
[M+H-H2O]+ 180.865240 129.7
[M+HCOO]- 242.866181 137.1
[M+CH3COO]- 256.881831 189.6
[M+Na-2H]- 218.842646 129.2
[M]+ 197.86743142 153.4
[M]- 197.86852858 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