CID 106181

1-propene, 1-bromo-2-chloro-

Structural Information

Molecular Formula
C3H4BrCl
SMILES
CC(=CBr)Cl
InChI
InChI=1S/C3H4BrCl/c1-3(5)2-4/h2H,1H3
InChIKey
LEUMKYBSYBFZEU-UHFFFAOYSA-N
Compound name
1-bromo-2-chloroprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

153.91849 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.92577 119.5
[M+Na]+ 176.90771 132.6
[M-H]- 152.91121 123.1
[M+NH4]+ 171.95231 145.0
[M+K]+ 192.88165 121.0
[M+H-H2O]+ 136.91575 122.2
[M+HCOO]- 198.91669 136.7
[M+CH3COO]- 212.93234 172.8
[M+Na-2H]- 174.89316 127.9
[M]+ 153.91794 138.3
[M]- 153.91904 138.3
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