CID 2736985

3-(difluoromethoxy)benzaldehyde

Structural Information

Molecular Formula
C8H6F2O2
SMILES
C1=CC(=CC(=C1)OC(F)F)C=O
InChI
InChI=1S/C8H6F2O2/c9-8(10)12-7-3-1-2-6(4-7)5-11/h1-5,8H
InChIKey
HFIUSWPRDIPIPN-UHFFFAOYSA-N
Compound name
3-(difluoromethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

393
Patents

172.03358 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04086 129.2
[M+Na]+ 195.02280 138.1
[M-H]- 171.02630 130.6
[M+NH4]+ 190.06740 149.5
[M+K]+ 210.99674 136.5
[M+H-H2O]+ 155.03084 122.0
[M+HCOO]- 217.03178 151.7
[M+CH3COO]- 231.04743 178.9
[M+Na-2H]- 193.00825 134.9
[M]+ 172.03303 128.4
[M]- 172.03413 128.4
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