CID 12454484

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

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
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

No literature data available for this compound.

Patent stripe

patents stripe