CID 146049424

2411289-54-6

Structural Information

Molecular Formula
C7H5BrF3NOS
SMILES
C1=CC(=CC(=C1)Br)S(=N)(=O)C(F)(F)F
InChI
InChI=1S/C7H5BrF3NOS/c8-5-2-1-3-6(4-5)14(12,13)7(9,10)11/h1-4,12H
InChIKey
ITBGDNBUNNASFS-UHFFFAOYSA-N
Compound name
(3-bromophenyl)-imino-oxo-(trifluoromethyl)-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.92273 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.93001 149.4
[M+Na]+ 309.91195 149.6
[M+NH4]+ 304.95655 151.9
[M+K]+ 325.88589 149.3
[M-H]- 285.91545 145.5
[M+Na-2H]- 307.89740 150.8
[M]+ 286.92218 147.4
[M]- 286.92328 147.4
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.