CID 57224936

4-(trifluoromethoxy)benzene-1-sulfonyl isocyanate

Structural Information

Molecular Formula
C8H4F3NO4S
SMILES
C1=CC(=CC=C1OC(F)(F)F)S(=O)(=O)N=C=O
InChI
InChI=1S/C8H4F3NO4S/c9-8(10,11)16-6-1-3-7(4-2-6)17(14,15)12-5-13/h1-4H
InChIKey
RKTPKWAYMHIIPJ-UHFFFAOYSA-N
Compound name
N-(oxomethylidene)-4-(trifluoromethoxy)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

266.98132 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.98860 157.3
[M+Na]+ 289.97054 164.4
[M+NH4]+ 285.01514 161.0
[M+K]+ 305.94448 159.2
[M-H]- 265.97404 152.6
[M+Na-2H]- 287.95599 160.0
[M]+ 266.98077 157.0
[M]- 266.98187 157.0
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