CID 13354695

73628-28-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
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

No literature data available for this compound.

Patent stripe

patents stripe