CID 88042

4274-38-8

Structural Information

Molecular Formula
C7H6F3NS
SMILES
C1=CC(=C(C=C1C(F)(F)F)N)S
InChI
InChI=1S/C7H6F3NS/c8-7(9,10)4-1-2-6(12)5(11)3-4/h1-3,12H,11H2
InChIKey
MVTRQRSNYWDWMY-UHFFFAOYSA-N
Compound name
2-amino-4-(trifluoromethyl)benzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

558
Patents

193.0173 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.02458 140.0
[M+Na]+ 216.00652 148.9
[M+NH4]+ 211.05112 146.8
[M+K]+ 231.98046 142.1
[M-H]- 192.01002 138.2
[M+Na-2H]- 213.99197 144.1
[M]+ 193.01675 141.0
[M]- 193.01785 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe