CID 519642

2-vinylthiophene

Structural Information

Molecular Formula
C6H6S
SMILES
C=CC1=CC=CS1
InChI
InChI=1S/C6H6S/c1-2-6-4-3-5-7-6/h2-5H,1H2
InChIKey
ORNUPNRNNSVZTC-UHFFFAOYSA-N
Compound name
2-ethenylthiophene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

9891
Patents

110.01902 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.02630 118.7
[M+Na]+ 133.00824 128.3
[M-H]- 109.01174 123.2
[M+NH4]+ 128.05284 144.2
[M+K]+ 148.98218 126.2
[M+H-H2O]+ 93.016280 114.3
[M+HCOO]- 155.01722 140.0
[M+CH3COO]- 169.03287 165.7
[M+Na-2H]- 130.99369 122.6
[M]+ 110.01847 120.0
[M]- 110.01957 120.0
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