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
1
Annotation Hits

0
References

98
Patents

172.03358 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04086 127.4
[M+Na]+ 195.02280 138.4
[M-H]- 171.02630 129.5
[M+NH4]+ 190.06740 148.5
[M+K]+ 210.99674 136.5
[M+H-H2O]+ 155.03084 120.6
[M+HCOO]- 217.03178 150.9
[M+CH3COO]- 231.04743 180.4
[M+Na-2H]- 193.00825 133.1
[M]+ 172.03303 128.0
[M]- 172.03413 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