CID 125454003

4-[2-(difluoromethyl)-1,3-thiazol-5-yl]benzaldehyde

Structural Information

Molecular Formula
C11H7F2NOS
SMILES
C1=CC(=CC=C1C=O)C2=CN=C(S2)C(F)F
InChI
InChI=1S/C11H7F2NOS/c12-10(13)11-14-5-9(16-11)8-3-1-7(6-15)2-4-8/h1-6,10H
InChIKey
QCBQGGWHSTZQTO-UHFFFAOYSA-N
Compound name
4-[2-(difluoromethyl)-1,3-thiazol-5-yl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.02164 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.028916 146.1
[M+Na]+ 262.010858 156.5
[M-H]- 238.014364 149.9
[M+NH4]+ 257.055463 165.0
[M+K]+ 277.984798 152.1
[M+H-H2O]+ 222.018900 137.8
[M+HCOO]- 284.019841 163.3
[M+CH3COO]- 298.035491 189.0
[M+Na-2H]- 259.996306 146.4
[M]+ 239.02109142 146.8
[M]- 239.02218858 146.8
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

No patent data available for this compound.