CID 211576

23379-26-2

Structural Information

Molecular Formula
C13H8ClF2NO4S
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)OC2=C(C=C(C=C2)S(=O)(=O)F)F
InChI
InChI=1S/C13H8ClF2NO4S/c14-8-2-1-3-9(6-8)17-13(18)21-12-5-4-10(7-11(12)15)22(16,19)20/h1-7H,(H,17,18)
InChIKey
BQALWMOTOVRDLI-UHFFFAOYSA-N
Compound name
(2-fluoro-4-fluorosulfonylphenyl) N-(3-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

346.98306 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.99034 168.0
[M+Na]+ 369.97228 178.2
[M-H]- 345.97578 173.1
[M+NH4]+ 365.01688 182.4
[M+K]+ 385.94622 172.5
[M+H-H2O]+ 329.98032 160.0
[M+HCOO]- 391.98126 180.8
[M+CH3COO]- 405.99691 206.1
[M+Na-2H]- 367.95773 170.7
[M]+ 346.98251 171.8
[M]- 346.98361 171.8
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