CID 2774136

2,3-difluoro-4-methylbenzaldehyde

Structural Information

Molecular Formula
C8H6F2O
SMILES
CC1=C(C(=C(C=C1)C=O)F)F
InChI
InChI=1S/C8H6F2O/c1-5-2-3-6(4-11)8(10)7(5)9/h2-4H,1H3
InChIKey
YCTVOFSIRYUUAN-UHFFFAOYSA-N
Compound name
2,3-difluoro-4-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

194
Patents

156.03867 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04595 124.0
[M+Na]+ 179.02789 135.1
[M-H]- 155.03139 126.2
[M+NH4]+ 174.07249 145.8
[M+K]+ 195.00183 132.6
[M+H-H2O]+ 139.03593 117.5
[M+HCOO]- 201.03687 147.3
[M+CH3COO]- 215.05252 178.4
[M+Na-2H]- 177.01334 129.8
[M]+ 156.03812 123.2
[M]- 156.03922 123.2
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