CID 43312931

2-(dimethylamino)-5-fluorobenzaldehyde

Structural Information

Molecular Formula
C9H10FNO
SMILES
CN(C)C1=C(C=C(C=C1)F)C=O
InChI
InChI=1S/C9H10FNO/c1-11(2)9-4-3-8(10)5-7(9)6-12/h3-6H,1-2H3
InChIKey
NTYBTUKEJLGZCI-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-5-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

167.07465 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.081926 131.3
[M+Na]+ 190.063868 140.2
[M-H]- 166.067374 135.7
[M+NH4]+ 185.108473 152.7
[M+K]+ 206.037808 139.2
[M+H-H2O]+ 150.071910 124.6
[M+HCOO]- 212.072851 156.8
[M+CH3COO]- 226.088501 185.8
[M+Na-2H]- 188.049316 137.1
[M]+ 167.07410142 132.1
[M]- 167.07519858 132.1
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