CID 177798520

2-(1-fluorocyclobutyl)-1,3-thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C8H8FNOS
SMILES
C1CC(C1)(C2=NC=C(S2)C=O)F
InChI
InChI=1S/C8H8FNOS/c9-8(2-1-3-8)7-10-4-6(5-11)12-7/h4-5H,1-3H2
InChIKey
RHSNTEGMRXNLFU-UHFFFAOYSA-N
Compound name
2-(1-fluorocyclobutyl)-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.03107 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03835 129.7
[M+Na]+ 208.02029 137.6
[M-H]- 184.02379 134.3
[M+NH4]+ 203.06489 146.0
[M+K]+ 223.99423 138.0
[M+H-H2O]+ 168.02833 118.6
[M+HCOO]- 230.02927 146.6
[M+CH3COO]- 244.04492 181.0
[M+Na-2H]- 206.00574 132.5
[M]+ 185.03052 138.9
[M]- 185.03162 138.9
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.