CID 44157976

Benzyl n-[2-(fluorosulfonyl)ethyl]carbamate

Structural Information

Molecular Formula
C10H12FNO4S
SMILES
C1=CC=C(C=C1)COC(=O)NCCS(=O)(=O)F
InChI
InChI=1S/C10H12FNO4S/c11-17(14,15)7-6-12-10(13)16-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
InChIKey
BIWLPVXEFSYXMC-UHFFFAOYSA-N
Compound name
benzyl N-(2-fluorosulfonylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

261.04712 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.05440 153.7
[M+Na]+ 284.03634 160.4
[M-H]- 260.03984 155.8
[M+NH4]+ 279.08094 170.2
[M+K]+ 300.01028 157.7
[M+H-H2O]+ 244.04438 146.2
[M+HCOO]- 306.04532 171.4
[M+CH3COO]- 320.06097 191.2
[M+Na-2H]- 282.02179 157.7
[M]+ 261.04657 156.4
[M]- 261.04767 156.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe