CID 130236382

2112841-62-8

Structural Information

Molecular Formula
C11H14ClNO4S
SMILES
C[C@H](CS(=O)(=O)Cl)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C11H14ClNO4S/c1-9(8-18(12,15)16)13-11(14)17-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)/t9-/m1/s1
InChIKey
NIHFPICSMSDBCI-SECBINFHSA-N
Compound name
benzyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

291.0332 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.04048 160.8
[M+Na]+ 314.02242 167.5
[M-H]- 290.02592 164.5
[M+NH4]+ 309.06702 177.1
[M+K]+ 329.99636 163.8
[M+H-H2O]+ 274.03046 155.4
[M+HCOO]- 336.03140 173.8
[M+CH3COO]- 350.04705 196.1
[M+Na-2H]- 312.00787 163.7
[M]+ 291.03265 166.5
[M]- 291.03375 166.5
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