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]+ 150.97791 122.7
[M+Na]+ 172.95985 133.9
[M-H]- 148.96335 126.1
[M+NH4]+ 168.00445 147.6
[M+K]+ 188.93379 130.2
[M+H-H2O]+ 132.96789 118.3
[M+HCOO]- 194.96883 138.4
[M+CH3COO]- 208.98448 171.2
[M+Na-2H]- 170.94530 125.4
[M]+ 149.97008 125.2
[M]- 149.97118 125.3
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.