CID 8006

1-bromo-3-chloropropane

Structural Information

Molecular Formula
C3H6BrCl
SMILES
C(CCl)CBr
InChI
InChI=1S/C3H6BrCl/c4-2-1-3-5/h1-3H2
InChIKey
MFESCIUQSIBMSM-UHFFFAOYSA-N
Compound name
1-bromo-3-chloropropane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

52
References

12523
Patents

155.93414 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.94142 122.2
[M+Na]+ 178.92336 125.8
[M+NH4]+ 173.96796 128.4
[M+K]+ 194.89730 124.9
[M-H]- 154.92686 121.7
[M+Na-2H]- 176.90881 125.2
[M]+ 155.93359 121.6
[M]- 155.93469 121.6
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