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]+ 240.02892 146.1
[M+Na]+ 262.01086 156.5
[M-H]- 238.01436 149.9
[M+NH4]+ 257.05546 165.0
[M+K]+ 277.98480 152.1
[M+H-H2O]+ 222.01890 137.8
[M+HCOO]- 284.01984 163.3
[M+CH3COO]- 298.03549 189.0
[M+Na-2H]- 259.99631 146.4
[M]+ 239.02109 146.8
[M]- 239.02219 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.