CID 14973118

2-bromo-5-dodecylthiophene

Structural Information

Molecular Formula
C16H27BrS
SMILES
CCCCCCCCCCCCC1=CC=C(S1)Br
InChI
InChI=1S/C16H27BrS/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-16(17)18-15/h13-14H,2-12H2,1H3
InChIKey
MOSAVYMGWTYDNS-UHFFFAOYSA-N
Compound name
2-bromo-5-dodecylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

330.10168 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.10896 170.5
[M+Na]+ 353.09090 180.4
[M-H]- 329.09440 176.1
[M+NH4]+ 348.13550 191.3
[M+K]+ 369.06484 167.0
[M+H-H2O]+ 313.09894 170.0
[M+HCOO]- 375.09988 186.3
[M+CH3COO]- 389.11553 206.4
[M+Na-2H]- 351.07635 170.5
[M]+ 330.10113 194.6
[M]- 330.10223 194.6
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

patents stripe