CID 167734626

2-chloro-7-(difluoromethyl)-5-methyl-[1,3]thiazolo[4,5-b]pyridine

Structural Information

Molecular Formula
C8H5ClF2N2S
SMILES
CC1=CC(=C2C(=N1)N=C(S2)Cl)C(F)F
InChI
InChI=1S/C8H5ClF2N2S/c1-3-2-4(6(10)11)5-7(12-3)13-8(9)14-5/h2,6H,1H3
InChIKey
RTIHOOCVWCAKPE-UHFFFAOYSA-N
Compound name
2-chloro-7-(difluoromethyl)-5-methyl-[1,3]thiazolo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.983 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.99028 138.9
[M+Na]+ 256.97222 152.9
[M-H]- 232.97572 139.7
[M+NH4]+ 252.01682 159.3
[M+K]+ 272.94616 147.5
[M+H-H2O]+ 216.98026 131.9
[M+HCOO]- 278.98120 150.4
[M+CH3COO]- 292.99685 152.7
[M+Na-2H]- 254.95767 141.1
[M]+ 233.98245 143.3
[M]- 233.98355 143.3
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.