CID 130969019

3-(chloromethyl)-4-fluorothiophene

Structural Information

Molecular Formula
C5H4ClFS
SMILES
C1=C(C(=CS1)F)CCl
InChI
InChI=1S/C5H4ClFS/c6-1-4-2-8-3-5(4)7/h2-3H,1H2
InChIKey
TZEKRBAGZVHEEI-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-4-fluorothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.97063 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.977906 122.7
[M+Na]+ 172.959848 133.9
[M-H]- 148.963354 126.1
[M+NH4]+ 168.004453 147.6
[M+K]+ 188.933788 130.2
[M+H-H2O]+ 132.967890 118.3
[M+HCOO]- 194.968831 138.4
[M+CH3COO]- 208.984481 171.2
[M+Na-2H]- 170.945296 125.4
[M]+ 149.97008142 125.2
[M]- 149.97117858 125.2
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

No patent data available for this compound.