CID 12742

1-bromononane

Structural Information

Molecular Formula
C9H19Br
SMILES
CCCCCCCCCBr
InChI
InChI=1S/C9H19Br/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3
InChIKey
AYMUQTNXKPEMLM-UHFFFAOYSA-N
Compound name
1-bromononane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

2660
Patents

206.06702 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07430 143.6
[M+Na]+ 229.05624 153.3
[M-H]- 205.05974 146.1
[M+NH4]+ 224.10084 166.5
[M+K]+ 245.03018 142.6
[M+H-H2O]+ 189.06428 144.1
[M+HCOO]- 251.06522 163.9
[M+CH3COO]- 265.08087 186.9
[M+Na-2H]- 227.04169 150.2
[M]+ 206.06647 164.2
[M]- 206.06757 164.2
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