CID 11185032

2,5-dibromopentanoyl chloride

Structural Information

Molecular Formula
C5H7Br2ClO
SMILES
C(CC(C(=O)Cl)Br)CBr
InChI
InChI=1S/C5H7Br2ClO/c6-3-1-2-4(7)5(8)9/h4H,1-3H2
InChIKey
OUADIZVZFBYKSK-UHFFFAOYSA-N
Compound name
2,5-dibromopentanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

275.85522 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.86250 137.1
[M+Na]+ 298.84444 148.6
[M-H]- 274.84794 141.3
[M+NH4]+ 293.88904 157.6
[M+K]+ 314.81838 131.7
[M+H-H2O]+ 258.85248 146.0
[M+HCOO]- 320.85342 148.5
[M+CH3COO]- 334.86907 199.6
[M+Na-2H]- 296.82989 143.0
[M]+ 275.85467 172.1
[M]- 275.85577 172.1
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