CID 162340997

2,3-dibromo-bicyclo(2.2.1)heptane

Structural Information

Molecular Formula
C7H10Br2
SMILES
C1C[C@H]2C[C@@H]1[C@H](C2Br)Br
InChI
InChI=1S/C7H10Br2/c8-6-4-1-2-5(3-4)7(6)9/h4-7H,1-3H2/t4-,5+,6-,7?/m1/s1
InChIKey
IZDDPSZQOJBKGK-JFRCYRBUSA-N
Compound name
(1S,3R,4R)-2,3-dibromobicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.91493 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.92221 146.8
[M+Na]+ 274.90415 158.5
[M-H]- 250.90765 153.4
[M+NH4]+ 269.94875 171.7
[M+K]+ 290.87809 144.2
[M+H-H2O]+ 234.91219 156.3
[M+HCOO]- 296.91313 161.7
[M+CH3COO]- 310.92878 161.3
[M+Na-2H]- 272.88960 151.3
[M]+ 251.91438 178.5
[M]- 251.91548 178.5
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.