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 151.3
[M+Na]+ 262.01086 162.6
[M+NH4]+ 257.05546 158.7
[M+K]+ 277.98480 155.8
[M-H]- 238.01436 151.7
[M+Na-2H]- 259.99631 157.1
[M]+ 239.02109 153.3
[M]- 239.02219 153.3
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.