CID 101784491

1269071-52-4

Structural Information

Molecular Formula
C12H16ClNO4S
SMILES
CC(C)(C)OC(=O)NCC1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C12H16ClNO4S/c1-12(2,3)18-11(15)14-8-9-4-6-10(7-5-9)19(13,16)17/h4-7H,8H2,1-3H3,(H,14,15)
InChIKey
IPKPYHIHJKGWIM-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-chlorosulfonylphenyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

305.04886 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.05614 168.9
[M+Na]+ 328.03808 178.6
[M+NH4]+ 323.08268 174.9
[M+K]+ 344.01202 172.6
[M-H]- 304.04158 168.3
[M+Na-2H]- 326.02353 172.9
[M]+ 305.04831 170.7
[M]- 305.04941 170.7
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