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 135.3
[M+Na]+ 221.97508 148.2
[M-H]- 197.97858 138.6
[M+NH4]+ 217.01968 157.7
[M+K]+ 237.94902 142.9
[M+H-H2O]+ 181.98312 131.2
[M+HCOO]- 243.98406 150.1
[M+CH3COO]- 257.99971 149.9
[M+Na-2H]- 219.96053 140.1
[M]+ 198.98531 141.0
[M]- 198.98641 141.0
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