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

1
Patents

190.94043 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.947706 125.0
[M+Na]+ 213.929648 139.1
[M-H]- 189.933154 132.1
[M+NH4]+ 208.974253 150.6
[M+K]+ 229.903588 127.5
[M+H-H2O]+ 173.937690 125.8
[M+HCOO]- 235.938631 144.3
[M+CH3COO]- 249.954281 180.3
[M+Na-2H]- 211.915096 129.3
[M]+ 190.93988142 143.9
[M]- 190.94097858 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

patents stripe