CID 2049860

2-chloro-4-methylbenzothiazole

Structural Information

Molecular Formula
C8H6ClNS
SMILES
CC1=C2C(=CC=C1)SC(=N2)Cl
InChI
InChI=1S/C8H6ClNS/c1-5-3-2-4-6-7(5)10-8(9)11-6/h2-4H,1H3
InChIKey
NYNLRPVNVRAELQ-UHFFFAOYSA-N
Compound name
2-chloro-4-methyl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

182.99095 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.99823 131.8
[M+Na]+ 205.98017 145.4
[M-H]- 181.98367 136.6
[M+NH4]+ 201.02477 155.7
[M+K]+ 221.95411 140.5
[M+H-H2O]+ 165.98821 127.5
[M+HCOO]- 227.98915 147.9
[M+CH3COO]- 242.00480 147.3
[M+Na-2H]- 203.96562 136.9
[M]+ 182.99040 138.0
[M]- 182.99150 138.0
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