CID 98753251

2248408-63-9

Structural Information

Molecular Formula
C5H6BrNS
SMILES
CC1=CSC(=C1Br)N
InChI
InChI=1S/C5H6BrNS/c1-3-2-8-5(7)4(3)6/h2H,7H2,1H3
InChIKey
LHHPNJOYKOEVDM-UHFFFAOYSA-N
Compound name
3-bromo-4-methylthiophen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.94043 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.94771 125.0
[M+Na]+ 213.92965 139.1
[M-H]- 189.93315 132.1
[M+NH4]+ 208.97425 150.6
[M+K]+ 229.90359 127.5
[M+H-H2O]+ 173.93769 125.8
[M+HCOO]- 235.93863 144.3
[M+CH3COO]- 249.95428 180.3
[M+Na-2H]- 211.91510 129.3
[M]+ 190.93988 143.9
[M]- 190.94098 143.9
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.