CID 78309

1,7-dibromoheptane

Structural Information

Molecular Formula
C7H14Br2
SMILES
C(CCCBr)CCCBr
InChI
InChI=1S/C7H14Br2/c8-6-4-2-1-3-5-7-9/h1-7H2
InChIKey
LVWSZGCVEZRFBT-UHFFFAOYSA-N
Compound name
1,7-dibromoheptane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1959
Patents

255.94623 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.95351 137.6
[M+Na]+ 278.93545 147.7
[M-H]- 254.93895 141.5
[M+NH4]+ 273.98005 158.3
[M+K]+ 294.90939 132.1
[M+H-H2O]+ 238.94349 145.7
[M+HCOO]- 300.94443 153.4
[M+CH3COO]- 314.96008 199.4
[M+Na-2H]- 276.92090 145.0
[M]+ 255.94568 172.4
[M]- 255.94678 172.4
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