CID 15360364

3,4-dihexylthiophene

Structural Information

Molecular Formula
C16H28S
SMILES
CCCCCCC1=CSC=C1CCCCCC
InChI
InChI=1S/C16H28S/c1-3-5-7-9-11-15-13-17-14-16(15)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChIKey
YIRIIAIZQBBXHL-UHFFFAOYSA-N
Compound name
3,4-dihexylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

61
Patents

252.19118 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.19846 164.0
[M+Na]+ 275.18040 169.8
[M-H]- 251.18390 166.8
[M+NH4]+ 270.22500 184.1
[M+K]+ 291.15434 165.6
[M+H-H2O]+ 235.18844 157.6
[M+HCOO]- 297.18938 181.7
[M+CH3COO]- 311.20503 197.7
[M+Na-2H]- 273.16585 162.0
[M]+ 252.19063 169.9
[M]- 252.19173 169.9
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