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
(1R,2R)-1,2-dibromocyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
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

literature stripe

Patent stripe

patents stripe