CID 18356997

3622-39-7

Structural Information

Molecular Formula
C8H6BrNOS
SMILES
COC1=C2C(=CC=C1)SC(=N2)Br
InChI
InChI=1S/C8H6BrNOS/c1-11-5-3-2-4-6-7(5)10-8(9)12-6/h2-4H,1H3
InChIKey
ZVCFJHNSAMCWGM-UHFFFAOYSA-N
Compound name
2-bromo-4-methoxy-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

242.93535 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.94263 133.5
[M+Na]+ 265.92457 149.7
[M-H]- 241.92807 141.2
[M+NH4]+ 260.96917 157.8
[M+K]+ 281.89851 138.6
[M+H-H2O]+ 225.93261 134.9
[M+HCOO]- 287.93355 152.6
[M+CH3COO]- 301.94920 150.9
[M+Na-2H]- 263.91002 141.1
[M]+ 242.93480 157.8
[M]- 242.93590 157.8
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