CID 85202

11-bromoundecanoyl chloride

Structural Information

Molecular Formula
C11H20BrClO
SMILES
C(CCCCCBr)CCCCC(=O)Cl
InChI
InChI=1S/C11H20BrClO/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2
InChIKey
QWHOIFRYXGBPRO-UHFFFAOYSA-N
Compound name
11-bromoundecanoyl chloride
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

161
Patents

282.0386 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.04588 159.3
[M+Na]+ 305.02782 169.2
[M-H]- 281.03132 161.4
[M+NH4]+ 300.07242 179.9
[M+K]+ 321.00176 155.8
[M+H-H2O]+ 265.03586 160.0
[M+HCOO]- 327.03680 174.1
[M+CH3COO]- 341.05245 197.5
[M+Na-2H]- 303.01327 163.2
[M]+ 282.03805 182.3
[M]- 282.03915 182.3
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