CID 12040713

2-fluoro-3,4-dimethylbenzaldehyde

Structural Information

Molecular Formula
C9H9FO
SMILES
CC1=C(C(=C(C=C1)C=O)F)C
InChI
InChI=1S/C9H9FO/c1-6-3-4-8(5-11)9(10)7(6)2/h3-5H,1-2H3
InChIKey
QMKVFIGNFHWOKU-UHFFFAOYSA-N
Compound name
2-fluoro-3,4-dimethylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

152.06374 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.07102 130.2
[M+Na]+ 175.05296 144.0
[M+NH4]+ 170.09756 138.8
[M+K]+ 191.02690 136.9
[M-H]- 151.05646 131.5
[M+Na-2H]- 173.03841 137.0
[M]+ 152.06319 132.6
[M]- 152.06429 132.6
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