CID 10560927

2703774-24-5

Structural Information

Molecular Formula
C9H10F3NS
SMILES
CNCC1=CC=C(C=C1)SC(F)(F)F
InChI
InChI=1S/C9H10F3NS/c1-13-6-7-2-4-8(5-3-7)14-9(10,11)12/h2-5,13H,6H2,1H3
InChIKey
OELYUHIDKFRWQM-UHFFFAOYSA-N
Compound name
N-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.0486 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.05588 141.2
[M+Na]+ 244.03782 149.4
[M-H]- 220.04132 141.1
[M+NH4]+ 239.08242 160.1
[M+K]+ 260.01176 145.4
[M+H-H2O]+ 204.04586 132.8
[M+HCOO]- 266.04680 156.7
[M+CH3COO]- 280.06245 189.0
[M+Na-2H]- 242.02327 144.7
[M]+ 221.04805 138.9
[M]- 221.04915 138.9
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

No patent data available for this compound.