CID 10965866

3-bromo-2-(bromomethyl)prop-1-ene

Structural Information

Molecular Formula
C4H6Br2
SMILES
C=C(CBr)CBr
InChI
InChI=1S/C4H6Br2/c1-4(2-5)3-6/h1-3H2
InChIKey
BDHXXBPPYQRWMC-UHFFFAOYSA-N
Compound name
3-bromo-2-(bromomethyl)prop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

211.88364 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.89092 124.9
[M+Na]+ 234.87286 136.0
[M-H]- 210.87636 129.3
[M+NH4]+ 229.91746 146.8
[M+K]+ 250.84680 120.9
[M+H-H2O]+ 194.88090 133.6
[M+HCOO]- 256.88184 140.9
[M+CH3COO]- 270.89749 192.4
[M+Na-2H]- 232.85831 132.8
[M]+ 211.88309 157.8
[M]- 211.88419 157.8
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