CID 1549289

4-bromothiobenzamide

Structural Information

Molecular Formula
C7H6BrNS
SMILES
C1=CC(=CC=C1C(=S)N)Br
InChI
InChI=1S/C7H6BrNS/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChIKey
AIPANIYQEBQYGC-UHFFFAOYSA-N
Compound name
4-bromobenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

306
Patents

214.94043 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.94771 124.1
[M+Na]+ 237.92965 127.1
[M+NH4]+ 232.97425 130.1
[M+K]+ 253.90359 126.0
[M-H]- 213.93315 125.8
[M+Na-2H]- 235.91510 128.6
[M]+ 214.93988 124.2
[M]- 214.94098 124.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe