CID 11218765

2-bromo-6-methoxy-1,3-benzothiazole

Structural Information

Molecular Formula
C8H6BrNOS
SMILES
COC1=CC2=C(C=C1)N=C(S2)Br
InChI
InChI=1S/C8H6BrNOS/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3
InChIKey
YNONWDJSSPJFBQ-UHFFFAOYSA-N
Compound name
2-bromo-6-methoxy-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

242.93535 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.942626 133.5
[M+Na]+ 265.924568 149.7
[M-H]- 241.928074 141.2
[M+NH4]+ 260.969173 157.8
[M+K]+ 281.898508 138.6
[M+H-H2O]+ 225.932610 134.9
[M+HCOO]- 287.933551 152.6
[M+CH3COO]- 301.949201 150.9
[M+Na-2H]- 263.910016 141.1
[M]+ 242.93480142 157.8
[M]- 242.93589858 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

literature stripe

Patent stripe

patents stripe