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

2539
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.