CID 20691940

27225-15-6

Structural Information

Molecular Formula
C4H4FNS
SMILES
CC1=CN=C(S1)F
InChI
InChI=1S/C4H4FNS/c1-3-2-6-4(5)7-3/h2H,1H3
InChIKey
SHVJQZNBSWNSEA-UHFFFAOYSA-N
Compound name
2-fluoro-5-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

117.004845 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.01212 115.5
[M+Na]+ 139.99406 126.6
[M-H]- 115.99757 117.7
[M+NH4]+ 135.03867 139.6
[M+K]+ 155.96800 125.1
[M+H-H2O]+ 100.00210 109.6
[M+HCOO]- 162.00305 134.9
[M+CH3COO]- 176.01870 166.9
[M+Na-2H]- 137.97951 119.1
[M]+ 117.00430 116.5
[M]- 117.00539 116.5
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

patents stripe