CID 90043818

(4-bromophenyl)(imino)(trifluoromethyl)-lambda6-sulfanone

Structural Information

Molecular Formula
C7H5BrF3NOS
SMILES
C1=CC(=CC=C1S(=N)(=O)C(F)(F)F)Br
InChI
InChI=1S/C7H5BrF3NOS/c8-5-1-3-6(4-2-5)14(12,13)7(9,10)11/h1-4,12H
InChIKey
ZWHFEGBSMDHVGF-UHFFFAOYSA-N
Compound name
(4-bromophenyl)-imino-oxo-(trifluoromethyl)-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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

literature stripe

Patent stripe

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