CID 11412456

2-(2-chloroethyl)thiophene

Structural Information

Molecular Formula
C6H7ClS
SMILES
C1=CSC(=C1)CCCl
InChI
InChI=1S/C6H7ClS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4H2
InChIKey
FMOIXKQKOWLYEK-UHFFFAOYSA-N
Compound name
2-(2-chloroethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

145.9957 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.00298 126.6
[M+Na]+ 168.98492 136.5
[M-H]- 144.98842 130.9
[M+NH4]+ 164.02952 151.4
[M+K]+ 184.95886 133.0
[M+H-H2O]+ 128.99296 122.7
[M+HCOO]- 190.99390 143.0
[M+CH3COO]- 205.00955 170.5
[M+Na-2H]- 166.97037 129.9
[M]+ 145.99515 130.2
[M]- 145.99625 130.2
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