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 165.4
[M+Na]+ 328.03808 173.2
[M-H]- 304.04158 169.6
[M+NH4]+ 323.08268 181.7
[M+K]+ 344.01202 169.4
[M+H-H2O]+ 288.04612 160.5
[M+HCOO]- 350.04706 177.6
[M+CH3COO]- 364.06271 199.1
[M+Na-2H]- 326.02353 169.3
[M]+ 305.04831 171.9
[M]- 305.04941 171.9
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