CID 18175

2-bromo-1-chloropropane

Structural Information

Molecular Formula
C3H6BrCl
SMILES
CC(CCl)Br
InChI
InChI=1S/C3H6BrCl/c1-3(4)2-5/h3H,2H2,1H3
InChIKey
PUJJZGFFAQHYEX-UHFFFAOYSA-N
Compound name
2-bromo-1-chloropropane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

166
Patents

155.93414 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.94142 121.0
[M+Na]+ 178.92336 133.8
[M-H]- 154.92686 124.6
[M+NH4]+ 173.96796 146.5
[M+K]+ 194.89730 122.7
[M+H-H2O]+ 138.93140 123.6
[M+HCOO]- 200.93234 138.0
[M+CH3COO]- 214.94799 174.3
[M+Na-2H]- 176.90881 129.4
[M]+ 155.93359 140.5
[M]- 155.93469 140.5
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