CID 7019169

Tosyl-l-phenylalanyl chloride

Structural Information

Molecular Formula
C16H16ClNO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)Cl
InChI
InChI=1S/C16H16ClNO3S/c1-12-7-9-14(10-8-12)22(20,21)18-15(16(17)19)11-13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3/t15-/m0/s1
InChIKey
KISOIDIHUAPEON-HNNXBMFYSA-N
Compound name
(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

337.05396 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.06124 173.8
[M+Na]+ 360.04318 180.7
[M-H]- 336.04668 180.5
[M+NH4]+ 355.08778 188.1
[M+K]+ 376.01712 175.1
[M+H-H2O]+ 320.05122 167.2
[M+HCOO]- 382.05216 186.5
[M+CH3COO]- 396.06781 207.2
[M+Na-2H]- 358.02863 176.2
[M]+ 337.05341 178.2
[M]- 337.05451 178.2
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

No patent data available for this compound.