CID 67982213

2-chloro-4-(3-fluorophenyl)-5-methyl-1,3-thiazole

Structural Information

Molecular Formula
C10H7ClFNS
SMILES
CC1=C(N=C(S1)Cl)C2=CC(=CC=C2)F
InChI
InChI=1S/C10H7ClFNS/c1-6-9(13-10(11)14-6)7-3-2-4-8(12)5-7/h2-5H,1H3
InChIKey
XEPZDQSOFIPGKD-UHFFFAOYSA-N
Compound name
2-chloro-4-(3-fluorophenyl)-5-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

226.99718 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00446 144.9
[M+Na]+ 249.98640 159.6
[M+NH4]+ 245.03100 154.7
[M+K]+ 265.96034 151.1
[M-H]- 225.98990 148.1
[M+Na-2H]- 247.97185 152.8
[M]+ 226.99663 148.8
[M]- 226.99773 148.8
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