CID 75328

2-bromo-2-chloropropane

Structural Information

Molecular Formula
C3H6BrCl
SMILES
CC(C)(Cl)Br
InChI
InChI=1S/C3H6BrCl/c1-3(2,4)5/h1-2H3
InChIKey
YSQXISYCKHFJFJ-UHFFFAOYSA-N
Compound name
2-bromo-2-chloropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

155.93414 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.941416 121.5
[M+Na]+ 178.923358 135.0
[M-H]- 154.926864 125.3
[M+NH4]+ 173.967963 147.1
[M+K]+ 194.897298 123.8
[M+H-H2O]+ 138.931400 124.5
[M+HCOO]- 200.932341 137.9
[M+CH3COO]- 214.947991 173.8
[M+Na-2H]- 176.908806 131.4
[M]+ 155.93359142 141.1
[M]- 155.93468858 141.1
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