CID 2736986

4-(difluoromethoxy)benzaldehyde

Structural Information

Molecular Formula
C8H6F2O2
SMILES
C1=CC(=CC=C1C=O)OC(F)F
InChI
InChI=1S/C8H6F2O2/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-5,8H
InChIKey
ZWCXOJYJJINQGU-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

673
Patents

172.03358 Da
Monoisotopic Mass

2.7
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

literature stripe

Patent stripe

patents stripe