CID 21477418

11-bromo-1-undecanethiol

Structural Information

Molecular Formula
C11H23BrS
SMILES
C(CCCCCS)CCCCCBr
InChI
InChI=1S/C11H23BrS/c12-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-11H2
InChIKey
IKVISLWYYHGTTN-UHFFFAOYSA-N
Compound name
11-bromoundecane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

266.07037 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07765 150.1
[M+Na]+ 289.05959 159.4
[M-H]- 265.06309 152.6
[M+NH4]+ 284.10419 171.4
[M+K]+ 305.03353 147.1
[M+H-H2O]+ 249.06763 150.1
[M+HCOO]- 311.06857 164.9
[M+CH3COO]- 325.08422 196.0
[M+Na-2H]- 287.04504 153.1
[M]+ 266.06982 173.5
[M]- 266.07092 173.5
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