CID 14033113

2305253-94-3

Structural Information

Molecular Formula
C10H10F3NO2S
SMILES
C1=CC(=CC=C1CC(C(=O)O)N)SC(F)(F)F
InChI
InChI=1S/C10H10F3NO2S/c11-10(12,13)17-7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)
InChIKey
VUQLYNOIWQJJOW-UHFFFAOYSA-N
Compound name
2-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

265.03842 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.04570 156.6
[M+Na]+ 288.02764 162.5
[M+NH4]+ 283.07224 161.0
[M+K]+ 304.00158 157.7
[M-H]- 264.03114 152.6
[M+Na-2H]- 286.01309 158.3
[M]+ 265.03787 156.2
[M]- 265.03897 156.2
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