CID 3856938

2,5-difluoro-4-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H6F2O2
SMILES
COC1=C(C=C(C(=C1)F)C=O)F
InChI
InChI=1S/C8H6F2O2/c1-12-8-3-6(9)5(4-11)2-7(8)10/h2-4H,1H3
InChIKey
DCGKDDVUUMOTDH-UHFFFAOYSA-N
Compound name
2,5-difluoro-4-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

106
Patents

172.03358 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.040856 127.4
[M+Na]+ 195.022798 138.4
[M-H]- 171.026304 129.5
[M+NH4]+ 190.067403 148.5
[M+K]+ 210.996738 136.5
[M+H-H2O]+ 155.030840 120.6
[M+HCOO]- 217.031781 150.9
[M+CH3COO]- 231.047431 180.4
[M+Na-2H]- 193.008246 133.1
[M]+ 172.03303142 128.0
[M]- 172.03412858 128.0
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