CID 42952

1,1-dibromoheptane

Structural Information

Molecular Formula
C7H14Br2
SMILES
CCCCCCC(Br)Br
InChI
InChI=1S/C7H14Br2/c1-2-3-4-5-6-7(8)9/h7H,2-6H2,1H3
InChIKey
AENZTLHIVNISKG-UHFFFAOYSA-N
Compound name
1,1-dibromoheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

454
Patents

255.94623 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.95351 139.2
[M+Na]+ 278.93545 149.1
[M-H]- 254.93895 143.1
[M+NH4]+ 273.98005 159.8
[M+K]+ 294.90939 133.7
[M+H-H2O]+ 238.94349 147.3
[M+HCOO]- 300.94443 154.2
[M+CH3COO]- 314.96008 199.9
[M+Na-2H]- 276.92090 145.5
[M]+ 255.94568 173.4
[M]- 255.94678 173.4
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