CID 12009257

Cycloheptene, 1,2-dibromo-

Structural Information

Molecular Formula
C7H10Br2
SMILES
C1CCC(=C(CC1)Br)Br
InChI
InChI=1S/C7H10Br2/c8-6-4-2-1-3-5-7(6)9/h1-5H2
InChIKey
COBMNVSOXAUECU-UHFFFAOYSA-N
Compound name
1,2-dibromocycloheptene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

246
Patents

251.91493 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.92221 130.2
[M+Na]+ 274.90415 138.3
[M-H]- 250.90765 137.2
[M+NH4]+ 269.94875 149.4
[M+K]+ 290.87809 127.4
[M+H-H2O]+ 234.91219 138.9
[M+HCOO]- 296.91313 144.6
[M+CH3COO]- 310.92878 198.5
[M+Na-2H]- 272.88960 137.2
[M]+ 251.91438 157.3
[M]- 251.91548 157.3
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