CID 1209045

2-amino-5-bromobenzenethiol

Structural Information

Molecular Formula
C6H6BrNS
SMILES
C1=CC(=C(C=C1Br)S)N
InChI
InChI=1S/C6H6BrNS/c7-4-1-2-5(8)6(9)3-4/h1-3,9H,8H2
InChIKey
LDGHLZFFKMEAOE-UHFFFAOYSA-N
Compound name
2-amino-5-bromobenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

304
Patents

202.94043 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.94771 121.4
[M+Na]+ 225.92965 125.2
[M+NH4]+ 220.97425 127.9
[M+K]+ 241.90359 123.9
[M-H]- 201.93315 123.6
[M+Na-2H]- 223.91510 126.3
[M]+ 202.93988 121.9
[M]- 202.94098 121.9
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