CID 12040710

4-fluoro-3,5-dimethylbenzaldehyde

Structural Information

Molecular Formula
C9H9FO
SMILES
CC1=CC(=CC(=C1F)C)C=O
InChI
InChI=1S/C9H9FO/c1-6-3-8(5-11)4-7(2)9(6)10/h3-5H,1-2H3
InChIKey
NNHYTIOMCJAWLM-UHFFFAOYSA-N
Compound name
4-fluoro-3,5-dimethylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
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 125.7
[M+Na]+ 175.05296 136.4
[M-H]- 151.05646 129.2
[M+NH4]+ 170.09756 147.8
[M+K]+ 191.02690 134.2
[M+H-H2O]+ 135.06100 120.1
[M+HCOO]- 197.06194 149.8
[M+CH3COO]- 211.07759 178.6
[M+Na-2H]- 173.03841 131.6
[M]+ 152.06319 126.5
[M]- 152.06429 126.5
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