CID 55268436

1,2,3-trifluoro-5-(methylsulfanyl)benzene

Structural Information

Molecular Formula
C7H5F3S
SMILES
CSC1=CC(=C(C(=C1)F)F)F
InChI
InChI=1S/C7H5F3S/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3H,1H3
InChIKey
IWHGLLPBSQPTMK-UHFFFAOYSA-N
Compound name
1,2,3-trifluoro-5-methylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

178.00641 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.01369 137.1
[M+Na]+ 200.99563 148.0
[M+NH4]+ 196.04023 144.7
[M+K]+ 216.96957 139.7
[M-H]- 176.99913 136.0
[M+Na-2H]- 198.98108 141.7
[M]+ 178.00586 138.7
[M]- 178.00696 138.7
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