CID 12454484

807630-92-8

Structural Information

Molecular Formula
C4H6Br2
SMILES
C1C[C@H]([C@@H]1Br)Br
InChI
InChI=1S/C4H6Br2/c5-3-1-2-4(3)6/h3-4H,1-2H2/t3-,4-/m1/s1
InChIKey
LGAGUISFTUGUHO-QWWZWVQMSA-N
Compound name
trans-(1R,2R)-1,2-dibromocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

211.88364 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.890916 111.1
[M+Na]+ 234.872858 121.6
[M-H]- 210.876364 118.2
[M+NH4]+ 229.917463 128.4
[M+K]+ 250.846798 109.9
[M+H-H2O]+ 194.880900 116.6
[M+HCOO]- 256.881841 127.0
[M+CH3COO]- 270.897491 194.5
[M+Na-2H]- 232.858306 120.4
[M]+ 211.88309142 149.1
[M]- 211.88418858 149.1
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

patents stripe