CID 12601463

Trans-1,2-dibromocyclopentane

Structural Information

Molecular Formula
C5H8Br2
SMILES
C1C[C@H]([C@@H](C1)Br)Br
InChI
InChI=1S/C5H8Br2/c6-4-2-1-3-5(4)7/h4-5H,1-3H2/t4-,5-/m1/s1
InChIKey
LJCGLSZQABMYGU-RFZPGFLSSA-N
Compound name
trans-(1R,2R)-1,2-dibromocyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

225.89928 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.90656 134.4
[M+Na]+ 248.88850 145.4
[M-H]- 224.89200 141.2
[M+NH4]+ 243.93310 157.3
[M+K]+ 264.86244 131.0
[M+H-H2O]+ 208.89654 143.2
[M+HCOO]- 270.89748 150.4
[M+CH3COO]- 284.91313 192.5
[M+Na-2H]- 246.87395 140.4
[M]+ 225.89873 165.5
[M]- 225.89983 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.