CID 58228589

2,5-difluoro-4-methylbenzaldehyde

Structural Information

Molecular Formula
C8H6F2O
SMILES
CC1=CC(=C(C=C1F)C=O)F
InChI
InChI=1S/C8H6F2O/c1-5-2-8(10)6(4-11)3-7(5)9/h2-4H,1H3
InChIKey
WPWOEUBXPUQBIK-UHFFFAOYSA-N
Compound name
2,5-difluoro-4-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

156.03867 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04595 124.0
[M+Na]+ 179.02789 135.1
[M-H]- 155.03139 126.2
[M+NH4]+ 174.07249 145.8
[M+K]+ 195.00183 132.6
[M+H-H2O]+ 139.03593 117.5
[M+HCOO]- 201.03687 147.3
[M+CH3COO]- 215.05252 178.4
[M+Na-2H]- 177.01334 129.8
[M]+ 156.03812 123.2
[M]- 156.03922 123.2
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