CID 122164178

Rac-(1r,2s)-2-bromo-1-(bromomethyl)-1-methylcyclopropane

Structural Information

Molecular Formula
C5H8Br2
SMILES
C[C@]1(C[C@H]1Br)CBr
InChI
InChI=1S/C5H8Br2/c1-5(3-6)2-4(5)7/h4H,2-3H2,1H3/t4-,5+/m1/s1
InChIKey
RHKKJPVXVNWTTN-UHNVWZDZSA-N
Compound name
trans-(1S,2R)-2-bromo-1-(bromomethyl)-1-methylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.89928 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.906556 130.9
[M+Na]+ 248.888498 144.5
[M-H]- 224.892004 139.1
[M+NH4]+ 243.933103 150.5
[M+K]+ 264.862438 129.8
[M+H-H2O]+ 208.896540 139.6
[M+HCOO]- 270.897481 147.5
[M+CH3COO]- 284.913131 196.7
[M+Na-2H]- 246.873946 139.7
[M]+ 225.89873142 165.5
[M]- 225.89982858 165.5
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

No patent data available for this compound.