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

6
Patents

232.951 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.95828 131.2
[M+Na]+ 255.94022 144.0
[M-H]- 231.94372 138.3
[M+NH4]+ 250.98482 153.3
[M+K]+ 271.91416 131.6
[M+H-H2O]+ 215.94826 131.7
[M+HCOO]- 277.94920 149.0
[M+CH3COO]- 291.96485 186.0
[M+Na-2H]- 253.92567 139.1
[M]+ 232.95045 150.3
[M]- 232.95155 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