CID 15597422

2-chloro-5-ethynylthiophene

Structural Information

Molecular Formula
C6H3ClS
SMILES
C#CC1=CC=C(S1)Cl
InChI
InChI=1S/C6H3ClS/c1-2-5-3-4-6(7)8-5/h1,3-4H
InChIKey
SDVHVQQEXLEHGZ-UHFFFAOYSA-N
Compound name
2-chloro-5-ethynylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

141.9644 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.97168 130.0
[M+Na]+ 164.95362 143.8
[M-H]- 140.95712 133.9
[M+NH4]+ 159.99822 152.8
[M+K]+ 180.92756 138.6
[M+H-H2O]+ 124.96166 120.5
[M+HCOO]- 186.96260 141.4
[M+CH3COO]- 200.97825 143.7
[M+Na-2H]- 162.93907 132.0
[M]+ 141.96385 127.9
[M]- 141.96495 127.9
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