CID 19530

3-bromo-1-chloroprop-1-ene

Structural Information

Molecular Formula
C3H4BrCl
SMILES
C(C=CCl)Br
InChI
InChI=1S/C3H4BrCl/c4-2-1-3-5/h1,3H,2H2
InChIKey
AHUWMUAVZFJTOC-UHFFFAOYSA-N
Compound name
3-bromo-1-chloroprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2514
Patents

153.91849 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.92577 119.0
[M+Na]+ 176.90771 132.4
[M-H]- 152.91121 122.6
[M+NH4]+ 171.95231 144.7
[M+K]+ 192.88165 120.5
[M+H-H2O]+ 136.91575 121.7
[M+HCOO]- 198.91669 137.2
[M+CH3COO]- 212.93234 172.0
[M+Na-2H]- 174.89316 128.7
[M]+ 153.91794 138.4
[M]- 153.91904 138.4
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