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
6
Annotation Hits

52
References

15657
Patents

155.93414 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.941416 120.5
[M+Na]+ 178.923358 133.5
[M-H]- 154.926864 124.0
[M+NH4]+ 173.967963 146.0
[M+K]+ 194.897298 122.2
[M+H-H2O]+ 138.931400 123.0
[M+HCOO]- 200.932341 138.4
[M+CH3COO]- 214.947991 173.6
[M+Na-2H]- 176.908806 130.1
[M]+ 155.93359142 140.6
[M]- 155.93468858 140.6
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