CID 88895109

6-bromo-5-methoxy-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C8H7BrN2OS
SMILES
COC1=C(C=C2C(=C1)N=C(S2)N)Br
InChI
InChI=1S/C8H7BrN2OS/c1-12-6-3-5-7(2-4(6)9)13-8(10)11-5/h2-3H,1H3,(H2,10,11)
InChIKey
NNHNIBUSODSJMQ-UHFFFAOYSA-N
Compound name
6-bromo-5-methoxy-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

257.94626 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.953536 137.2
[M+Na]+ 280.935478 153.0
[M-H]- 256.938984 144.4
[M+NH4]+ 275.980083 160.4
[M+K]+ 296.909418 140.9
[M+H-H2O]+ 240.943520 137.8
[M+HCOO]- 302.944461 156.3
[M+CH3COO]- 316.960111 153.9
[M+Na-2H]- 278.920926 143.7
[M]+ 257.94571142 160.1
[M]- 257.94680858 160.1
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