CID 287991

7,7-dibromobicyclo[4.1.0]heptane

Structural Information

Molecular Formula
C7H10Br2
SMILES
C1CCC2C(C1)C2(Br)Br
InChI
InChI=1S/C7H10Br2/c8-7(9)5-3-1-2-4-6(5)7/h5-6H,1-4H2
InChIKey
IFLNHZYJRFDRRU-UHFFFAOYSA-N
Compound name
7,7-dibromobicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

251.91493 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.92221 140.2
[M+Na]+ 274.90415 152.5
[M-H]- 250.90765 148.4
[M+NH4]+ 269.94875 159.5
[M+K]+ 290.87809 138.1
[M+H-H2O]+ 234.91219 149.1
[M+HCOO]- 296.91313 154.0
[M+CH3COO]- 310.92878 199.5
[M+Na-2H]- 272.88960 148.5
[M]+ 251.91438 172.5
[M]- 251.91548 172.5
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