CID 10845984

Benzenamine, 3-methyl-4-[(trifluoromethyl)thio]-

Structural Information

Molecular Formula
C8H8F3NS
SMILES
CC1=C(C=CC(=C1)N)SC(F)(F)F
InChI
InChI=1S/C8H8F3NS/c1-5-4-6(12)2-3-7(5)13-8(9,10)11/h2-4H,12H2,1H3
InChIKey
KYTGREIWAGIICV-UHFFFAOYSA-N
Compound name
3-methyl-4-(trifluoromethylsulfanyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

207.03296 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.04024 144.1
[M+Na]+ 230.02218 152.8
[M+NH4]+ 225.06678 150.7
[M+K]+ 245.99612 145.8
[M-H]- 206.02568 142.3
[M+Na-2H]- 228.00763 148.0
[M]+ 207.03241 145.0
[M]- 207.03351 145.0
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