CID 543401

10-bromoundecanoic acid

Structural Information

Molecular Formula
C11H21BrO2
SMILES
CC(CCCCCCCCC(=O)O)Br
InChI
InChI=1S/C11H21BrO2/c1-10(12)8-6-4-2-3-5-7-9-11(13)14/h10H,2-9H2,1H3,(H,13,14)
InChIKey
GRTAZJUBVKWZPH-UHFFFAOYSA-N
Compound name
10-bromoundecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

264.07248 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.07976 159.1
[M+Na]+ 287.06170 167.1
[M-H]- 263.06520 159.9
[M+NH4]+ 282.10630 178.6
[M+K]+ 303.03564 155.9
[M+H-H2O]+ 247.06974 158.8
[M+HCOO]- 309.07068 176.0
[M+CH3COO]- 323.08633 194.0
[M+Na-2H]- 285.04715 161.4
[M]+ 264.07193 179.3
[M]- 264.07303 179.3
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