CID 534192

1,1-dibromo-2,2-bis(chloromethyl)cyclopropane

Structural Information

Molecular Formula
C5H6Br2Cl2
SMILES
C1C(C1(Br)Br)(CCl)CCl
InChI
InChI=1S/C5H6Br2Cl2/c6-5(7)1-4(5,2-8)3-9/h1-3H2
InChIKey
RCRVZCIUKQNOIS-UHFFFAOYSA-N
Compound name
1,1-dibromo-2,2-bis(chloromethyl)cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

256
Patents

293.82132 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.82860 135.2
[M+Na]+ 316.81054 150.4
[M-H]- 292.81404 142.9
[M+NH4]+ 311.85514 155.0
[M+K]+ 332.78448 133.3
[M+H-H2O]+ 276.81858 146.0
[M+HCOO]- 338.81952 144.3
[M+CH3COO]- 352.83517 202.8
[M+Na-2H]- 314.79599 144.2
[M]+ 293.82077 171.3
[M]- 293.82187 171.3
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

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