CID 13596811

2-bromothiophen-3-amine hydrochloride

Structural Information

Molecular Formula
C4H4BrNS
SMILES
C1=CSC(=C1N)Br
InChI
InChI=1S/C4H4BrNS/c5-4-3(6)1-2-7-4/h1-2H,6H2
InChIKey
JZJZUEJIVBSRKR-UHFFFAOYSA-N
Compound name
2-bromothiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

176.92477 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.93205 121.0
[M+Na]+ 199.91399 134.7
[M-H]- 175.91749 127.9
[M+NH4]+ 194.95859 146.8
[M+K]+ 215.88793 123.4
[M+H-H2O]+ 159.92203 121.8
[M+HCOO]- 221.92297 140.7
[M+CH3COO]- 235.93862 176.5
[M+Na-2H]- 197.89944 126.4
[M]+ 176.92422 139.3
[M]- 176.92532 139.3
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