CID 10426816

2-bromo-3-dodecylthiophene

Structural Information

Molecular Formula
C16H27BrS
SMILES
CCCCCCCCCCCCC1=C(SC=C1)Br
InChI
InChI=1S/C16H27BrS/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-18-16(15)17/h13-14H,2-12H2,1H3
InChIKey
IMILVTHOOISGRW-UHFFFAOYSA-N
Compound name
2-bromo-3-dodecylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

297
Patents

330.10168 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.10896 169.1
[M+Na]+ 353.09090 170.3
[M+NH4]+ 348.13550 174.2
[M+K]+ 369.06484 167.4
[M-H]- 329.09440 169.9
[M+Na-2H]- 351.07635 169.9
[M]+ 330.10113 168.7
[M]- 330.10223 168.7
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