CID 177800479

Tert-butyl n-{[2-(fluorosulfonyl)phenyl]methyl}carbamate

Structural Information

Molecular Formula
C12H16FNO4S
SMILES
CC(C)(C)OC(=O)NCC1=CC=CC=C1S(=O)(=O)F
InChI
InChI=1S/C12H16FNO4S/c1-12(2,3)18-11(15)14-8-9-6-4-5-7-10(9)19(13,16)17/h4-7H,8H2,1-3H3,(H,14,15)
InChIKey
YWVOQHGWMNZAQQ-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2-fluorosulfonylphenyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.0784 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.08568 162.3
[M+Na]+ 312.06762 169.4
[M-H]- 288.07112 164.7
[M+NH4]+ 307.11222 178.1
[M+K]+ 328.04156 166.9
[M+H-H2O]+ 272.07566 155.3
[M+HCOO]- 334.07660 177.7
[M+CH3COO]- 348.09225 198.1
[M+Na-2H]- 310.05307 165.9
[M]+ 289.07785 165.5
[M]- 289.07895 165.5
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

No patent data available for this compound.