CID 20086728

Schembl9568876

Structural Information

Molecular Formula
C5H3F2NOS
SMILES
C1=C(N=C(S1)C(F)F)C=O
InChI
InChI=1S/C5H3F2NOS/c6-4(7)5-8-3(1-9)2-10-5/h1-2,4H
InChIKey
WJABIDTVQBKNQW-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-1,3-thiazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

162.99034 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.99762 125.2
[M+Na]+ 185.97956 135.6
[M-H]- 161.98306 125.8
[M+NH4]+ 181.02416 147.1
[M+K]+ 201.95350 133.6
[M+H-H2O]+ 145.98760 118.0
[M+HCOO]- 207.98854 142.5
[M+CH3COO]- 222.00419 174.4
[M+Na-2H]- 183.96501 126.6
[M]+ 162.98979 125.5
[M]- 162.99089 125.5
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