CID 20677

1,9-dibromononane

Structural Information

Molecular Formula
C9H18Br2
SMILES
C(CCCCBr)CCCCBr
InChI
InChI=1S/C9H18Br2/c10-8-6-4-2-1-3-5-7-9-11/h1-9H2
InChIKey
WGAXVZXBFBHLMC-UHFFFAOYSA-N
Compound name
1,9-dibromononane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1327
Patents

283.97754 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.98482 145.8
[M+Na]+ 306.96676 155.3
[M-H]- 282.97026 149.4
[M+NH4]+ 302.01136 165.6
[M+K]+ 322.94070 139.2
[M+H-H2O]+ 266.97480 153.6
[M+HCOO]- 328.97574 161.1
[M+CH3COO]- 342.99139 203.9
[M+Na-2H]- 304.95221 152.2
[M]+ 283.97699 181.1
[M]- 283.97809 181.1
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