CID 15451714

2,4-difluoro-5-methylbenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

156.03867 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.045946 124.0
[M+Na]+ 179.027888 135.1
[M-H]- 155.031394 126.2
[M+NH4]+ 174.072493 145.8
[M+K]+ 195.001828 132.6
[M+H-H2O]+ 139.035930 117.5
[M+HCOO]- 201.036871 147.3
[M+CH3COO]- 215.052521 178.4
[M+Na-2H]- 177.013336 129.8
[M]+ 156.03812142 123.2
[M]- 156.03921858 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

literature stripe

Patent stripe

patents stripe