CID 165998426

4-(chloromethyl)-2-(1,1-difluoroethyl)-1,3-thiazole

Structural Information

Molecular Formula
C6H6ClF2NS
SMILES
CC(C1=NC(=CS1)CCl)(F)F
InChI
InChI=1S/C6H6ClF2NS/c1-6(8,9)5-10-4(2-7)3-11-5/h3H,2H2,1H3
InChIKey
AITXRLUAILXDGN-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(1,1-difluoroethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.98775 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.99503 133.8
[M+Na]+ 219.97697 144.9
[M-H]- 195.98047 134.4
[M+NH4]+ 215.02157 155.5
[M+K]+ 235.95091 140.9
[M+H-H2O]+ 179.98501 127.6
[M+HCOO]- 241.98595 145.3
[M+CH3COO]- 256.00160 179.8
[M+Na-2H]- 217.96242 136.0
[M]+ 196.98720 135.5
[M]- 196.98830 135.5
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.