CID 2777343

2546-45-4

Structural Information

Molecular Formula
C8H7F3OS
SMILES
CSC1=CC=C(C=C1)OC(F)(F)F
InChI
InChI=1S/C8H7F3OS/c1-13-7-4-2-6(3-5-7)12-8(9,10)11/h2-5H,1H3
InChIKey
WGEFOOYHACYBNE-UHFFFAOYSA-N
Compound name
1-methylsulfanyl-4-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

208.01697 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.02425 145.5
[M+Na]+ 231.00619 154.9
[M+NH4]+ 226.05079 152.2
[M+K]+ 246.98013 147.5
[M-H]- 207.00969 143.2
[M+Na-2H]- 228.99164 149.7
[M]+ 208.01642 146.5
[M]- 208.01752 146.5
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