CID 117612684

(4-bromophenyl)(imino)(propan-2-yl)-lambda6-sulfanone

Structural Information

Molecular Formula
C9H12BrNOS
SMILES
CC(C)S(=N)(=O)C1=CC=C(C=C1)Br
InChI
InChI=1S/C9H12BrNOS/c1-7(2)13(11,12)9-5-3-8(10)4-6-9/h3-7,11H,1-2H3
InChIKey
SKICSVQPNDZDTI-UHFFFAOYSA-N
Compound name
(4-bromophenyl)-imino-oxo-propan-2-yl-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

260.9823 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.98958 136.4
[M+Na]+ 283.97152 138.6
[M+NH4]+ 279.01612 141.3
[M+K]+ 299.94546 138.3
[M-H]- 259.97502 136.9
[M+Na-2H]- 281.95697 140.2
[M]+ 260.98175 136.1
[M]- 260.98285 136.1
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