CID 12454483

Rac-(1r,2r)-1,2-dibromocyclobutane, trans

Structural Information

Molecular Formula
C4H6Br2
SMILES
C1CC(C1Br)Br
InChI
InChI=1S/C4H6Br2/c5-3-1-2-4(3)6/h3-4H,1-2H2
InChIKey
LGAGUISFTUGUHO-UHFFFAOYSA-N
Compound name
1,2-dibromocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

211.88364 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.89092 111.1
[M+Na]+ 234.87286 121.6
[M-H]- 210.87636 118.2
[M+NH4]+ 229.91746 128.4
[M+K]+ 250.84680 109.9
[M+H-H2O]+ 194.88090 116.6
[M+HCOO]- 256.88184 127.0
[M+CH3COO]- 270.89749 194.5
[M+Na-2H]- 232.85831 120.4
[M]+ 211.88309 149.1
[M]- 211.88419 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

literature stripe

Patent stripe

patents stripe