CID 6434823

1-chloro-3-bromo-butene-1

Structural Information

Molecular Formula
C4H6BrCl
SMILES
CC(/C=C/Cl)Br
InChI
InChI=1S/C4H6BrCl/c1-4(5)2-3-6/h2-4H,1H3/b3-2+
InChIKey
JBFROCOYMZXIFP-NSCUHMNNSA-N
Compound name
(E)-3-bromo-1-chlorobut-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.93414 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.94142 124.2
[M+Na]+ 190.92336 137.0
[M-H]- 166.92686 127.7
[M+NH4]+ 185.96796 149.3
[M+K]+ 206.89730 125.1
[M+H-H2O]+ 150.93140 126.7
[M+HCOO]- 212.93234 141.1
[M+CH3COO]- 226.94799 175.6
[M+Na-2H]- 188.90881 132.1
[M]+ 167.93359 143.4
[M]- 167.93469 143.4
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

No patent data available for this compound.