CID 11768806

4-(difluoromethyl)benzaldehyde

Structural Information

Molecular Formula
C8H6F2O
SMILES
C1=CC(=CC=C1C=O)C(F)F
InChI
InChI=1S/C8H6F2O/c9-8(10)7-3-1-6(5-11)2-4-7/h1-5,8H
InChIKey
UMZKSQJPDSRGJG-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

156.03867 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.045946 125.9
[M+Na]+ 179.027888 134.8
[M-H]- 155.031394 127.3
[M+NH4]+ 174.072493 146.9
[M+K]+ 195.001828 132.7
[M+H-H2O]+ 139.035930 118.9
[M+HCOO]- 201.036871 148.1
[M+CH3COO]- 215.052521 176.9
[M+Na-2H]- 177.013336 131.7
[M]+ 156.03812142 123.6
[M]- 156.03921858 123.6
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