CID 73553779

(6-bromo-1,3-benzothiazol-2-yl)methanol

Structural Information

Molecular Formula
C8H6BrNOS
SMILES
C1=CC2=C(C=C1Br)SC(=N2)CO
InChI
InChI=1S/C8H6BrNOS/c9-5-1-2-6-7(3-5)12-8(4-11)10-6/h1-3,11H,4H2
InChIKey
JBLBHKPUSANPJP-UHFFFAOYSA-N
Compound name
(6-bromo-1,3-benzothiazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.93535 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.94263 134.1
[M+Na]+ 265.92457 149.7
[M-H]- 241.92807 140.3
[M+NH4]+ 260.96917 157.6
[M+K]+ 281.89851 137.6
[M+H-H2O]+ 225.93261 135.6
[M+HCOO]- 287.93355 151.7
[M+CH3COO]- 301.94920 150.7
[M+Na-2H]- 263.91002 141.2
[M]+ 242.93480 156.6
[M]- 242.93590 156.6
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

No patent data available for this compound.