CID 3033580

Brn 3286709

Structural Information

Molecular Formula
C10H10BrNO2S
SMILES
CCOC(=S)NC(=O)C1=CC=C(C=C1)Br
InChI
InChI=1S/C10H10BrNO2S/c1-2-14-10(15)12-9(13)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3,(H,12,13,15)
InChIKey
BAZSVNNWBNSVPG-UHFFFAOYSA-N
Compound name
O-ethyl N-(4-bromobenzoyl)carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.96155 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.96883 147.0
[M+Na]+ 309.95077 157.5
[M-H]- 285.95427 153.3
[M+NH4]+ 304.99537 166.7
[M+K]+ 325.92471 145.5
[M+H-H2O]+ 269.95881 146.3
[M+HCOO]- 331.95975 163.4
[M+CH3COO]- 345.97540 195.7
[M+Na-2H]- 307.93622 150.8
[M]+ 286.96100 167.4
[M]- 286.96210 167.4
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.