CID 361635

Nsc624851

Structural Information

Molecular Formula
C6H2Br6
SMILES
C1(C(C(=C(Br)Br)C1=C(Br)Br)Br)Br
InChI
InChI=1S/C6H2Br6/c7-3-1(5(9)10)2(4(3)8)6(11)12/h3-4H
InChIKey
LHPQXMMEPJKJGB-UHFFFAOYSA-N
Compound name
1,2-dibromo-3,4-bis(dibromomethylidene)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

547.5257 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.53298 173.1
[M+Na]+ 570.51492 182.6
[M-H]- 546.51842 176.9
[M+NH4]+ 565.55952 178.6
[M+K]+ 586.48886 172.1
[M+H-H2O]+ 530.52296 186.3
[M+HCOO]- 592.52390 175.7
[M+CH3COO]- 606.53955 250.3
[M+Na-2H]- 568.50037 171.8
[M]+ 547.52515 193.7
[M]- 547.52625 193.7
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.