CID 155822051

2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole

Structural Information

Molecular Formula
C5H4ClF2NS
SMILES
CC(C1=CN=C(S1)Cl)(F)F
InChI
InChI=1S/C5H4ClF2NS/c1-5(7,8)3-2-9-4(6)10-3/h2H,1H3
InChIKey
HYBHQMGWMPFPRW-UHFFFAOYSA-N
Compound name
2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.9721 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.97938 129.2
[M+Na]+ 205.96132 140.7
[M-H]- 181.96482 130.0
[M+NH4]+ 201.00592 151.4
[M+K]+ 221.93526 137.0
[M+H-H2O]+ 165.96936 123.2
[M+HCOO]- 227.97030 141.0
[M+CH3COO]- 241.98595 176.8
[M+Na-2H]- 203.94677 131.9
[M]+ 182.97155 130.5
[M]- 182.97265 130.5
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.