CID 11253292

833459-47-5

Structural Information

Molecular Formula
C7H8BrNOS
SMILES
CS(=N)(=O)C1=CC=CC=C1Br
InChI
InChI=1S/C7H8BrNOS/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKey
AQOLYXWOVMNOER-UHFFFAOYSA-N
Compound name
(2-bromophenyl)-imino-methyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

232.951 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.958276 131.2
[M+Na]+ 255.940218 144.0
[M-H]- 231.943724 138.3
[M+NH4]+ 250.984823 153.3
[M+K]+ 271.914158 131.6
[M+H-H2O]+ 215.948260 131.7
[M+HCOO]- 277.949201 149.0
[M+CH3COO]- 291.964851 186.0
[M+Na-2H]- 253.925666 139.1
[M]+ 232.95045142 150.3
[M]- 232.95154858 150.3
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