CID 117655368

(5-bromopyridin-2-yl)(imino)methyl-lambda6-sulfanone

Structural Information

Molecular Formula
C6H7BrN2OS
SMILES
CS(=N)(=O)C1=NC=C(C=C1)Br
InChI
InChI=1S/C6H7BrN2OS/c1-11(8,10)6-3-2-5(7)4-9-6/h2-4,8H,1H3
InChIKey
ISKVCXVVNLZJSN-UHFFFAOYSA-N
Compound name
(5-bromopyridin-2-yl)-imino-methyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

233.94624 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.95352 129.7
[M+Na]+ 256.93546 142.9
[M-H]- 232.93896 135.5
[M+NH4]+ 251.98006 150.5
[M+K]+ 272.90940 130.6
[M+H-H2O]+ 216.94350 129.8
[M+HCOO]- 278.94444 146.6
[M+CH3COO]- 292.96009 185.7
[M+Na-2H]- 254.92091 138.2
[M]+ 233.94569 148.9
[M]- 233.94679 148.9
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