CID 39870060

2-bromo-5-methoxybenzene-1-carbothioamide

Structural Information

Molecular Formula
C8H8BrNOS
SMILES
COC1=CC(=C(C=C1)Br)C(=S)N
InChI
InChI=1S/C8H8BrNOS/c1-11-5-2-3-7(9)6(4-5)8(10)12/h2-4H,1H3,(H2,10,12)
InChIKey
HJNMFXMNMSKPPG-UHFFFAOYSA-N
Compound name
2-bromo-5-methoxybenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.951 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.95828 131.9
[M+Na]+ 267.94022 134.6
[M+NH4]+ 262.98482 137.2
[M+K]+ 283.91416 133.9
[M-H]- 243.94372 133.1
[M+Na-2H]- 265.92567 135.5
[M]+ 244.95045 131.8
[M]- 244.95155 131.8
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.