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

7
Patents

198.98586 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.993136 135.3
[M+Na]+ 221.975078 148.2
[M-H]- 197.978584 138.6
[M+NH4]+ 217.019683 157.7
[M+K]+ 237.949018 142.9
[M+H-H2O]+ 181.983120 131.2
[M+HCOO]- 243.984061 150.1
[M+CH3COO]- 257.999711 149.9
[M+Na-2H]- 219.960526 140.1
[M]+ 198.98531142 141.0
[M]- 198.98640858 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