CID 96070

1-bromo-5-chloropentane

Structural Information

Molecular Formula
C5H10BrCl
SMILES
C(CCCl)CCBr
InChI
InChI=1S/C5H10BrCl/c6-4-2-1-3-5-7/h1-5H2
InChIKey
PHHNNDKXQVKJEP-UHFFFAOYSA-N
Compound name
1-bromo-5-chloropentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2172
Patents

183.96544 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.97272 129.9
[M+Na]+ 206.95466 142.1
[M-H]- 182.95816 133.0
[M+NH4]+ 201.99926 154.4
[M+K]+ 222.92860 130.2
[M+H-H2O]+ 166.96270 132.0
[M+HCOO]- 228.96364 147.2
[M+CH3COO]- 242.97929 179.2
[M+Na-2H]- 204.94011 138.3
[M]+ 183.96489 150.7
[M]- 183.96599 150.7
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