CID 85400

2-bromo-3-chloropropene

Structural Information

Molecular Formula
C3H4BrCl
SMILES
C=C(CCl)Br
InChI
InChI=1S/C3H4BrCl/c1-3(4)2-5/h1-2H2
InChIKey
LGQUWHWIEUSLLO-UHFFFAOYSA-N
Compound name
2-bromo-3-chloroprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
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 119.3
[M+Na]+ 176.90771 132.4
[M-H]- 152.91121 122.9
[M+NH4]+ 171.95231 144.8
[M+K]+ 192.88165 120.8
[M+H-H2O]+ 136.91575 122.0
[M+HCOO]- 198.91669 136.5
[M+CH3COO]- 212.93234 173.4
[M+Na-2H]- 174.89316 127.8
[M]+ 153.91794 138.2
[M]- 153.91904 138.2
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