CID 165754962

(5-bromo-6-chloropyridin-3-yl)(imino)methyl-lambda6-sulfanone

Structural Information

Molecular Formula
C6H6BrClN2OS
SMILES
CS(=N)(=O)C1=CC(=C(N=C1)Cl)Br
InChI
InChI=1S/C6H6BrClN2OS/c1-12(9,11)4-2-5(7)6(8)10-3-4/h2-3,9H,1H3
InChIKey
KIMBHFFRAPPCBB-UHFFFAOYSA-N
Compound name
(5-bromo-6-chloropyridin-3-yl)-imino-methyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.90726 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.91454 134.4
[M+Na]+ 290.89648 149.2
[M-H]- 266.89998 140.6
[M+NH4]+ 285.94108 155.1
[M+K]+ 306.87042 135.1
[M+H-H2O]+ 250.90452 135.4
[M+HCOO]- 312.90546 146.9
[M+CH3COO]- 326.92111 190.3
[M+Na-2H]- 288.88193 142.0
[M]+ 267.90671 155.6
[M]- 267.90781 155.6
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.