CID 26596533

2-chloro-5-(trifluoromethyl)thiophene

Structural Information

Molecular Formula
C5H2ClF3S
SMILES
C1=C(SC(=C1)Cl)C(F)(F)F
InChI
InChI=1S/C5H2ClF3S/c6-4-2-1-3(10-4)5(7,8)9/h1-2H
InChIKey
NCAHHLZLBJDFMP-UHFFFAOYSA-N
Compound name
2-chloro-5-(trifluoromethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

185.95178 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.95906 127.2
[M+Na]+ 208.94100 138.7
[M-H]- 184.94450 128.0
[M+NH4]+ 203.98560 150.5
[M+K]+ 224.91494 134.6
[M+H-H2O]+ 168.94904 121.3
[M+HCOO]- 230.94998 139.2
[M+CH3COO]- 244.96563 176.4
[M+Na-2H]- 206.92645 129.5
[M]+ 185.95123 126.9
[M]- 185.95233 126.9
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