CID 7131977

(5-chloro-1,3-benzothiazol-2-yl)methanol

Structural Information

Molecular Formula
C8H6ClNOS
SMILES
C1=CC2=C(C=C1Cl)N=C(S2)CO
InChI
InChI=1S/C8H6ClNOS/c9-5-1-2-7-6(3-5)10-8(4-11)12-7/h1-3,11H,4H2
InChIKey
RXEDIVWAXYZKFG-UHFFFAOYSA-N
Compound name
(5-chloro-1,3-benzothiazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

198.98586 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.99314 136.3
[M+Na]+ 221.97508 151.2
[M+NH4]+ 217.01968 146.6
[M+K]+ 237.94902 143.3
[M-H]- 197.97858 138.7
[M+Na-2H]- 219.96053 143.0
[M]+ 198.98531 140.0
[M]- 198.98641 140.0
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