CID 3055294

72239-33-9

Structural Information

Molecular Formula
C11H11F3N2S
SMILES
C1CSC(=N1)NCC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C11H11F3N2S/c12-11(13,14)9-3-1-2-8(6-9)7-16-10-15-4-5-17-10/h1-3,6H,4-5,7H2,(H,15,16)
InChIKey
NXFOBXJAZZAGPB-UHFFFAOYSA-N
Compound name
N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.0595 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.06678 151.6
[M+Na]+ 283.04872 159.9
[M-H]- 259.05222 153.3
[M+NH4]+ 278.09332 169.3
[M+K]+ 299.02266 155.2
[M+H-H2O]+ 243.05676 142.1
[M+HCOO]- 305.05770 166.4
[M+CH3COO]- 319.07335 192.8
[M+Na-2H]- 281.03417 153.5
[M]+ 260.05895 147.8
[M]- 260.06005 147.8
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