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]+ 168.08193 131.3
[M+Na]+ 190.06387 140.2
[M-H]- 166.06737 135.7
[M+NH4]+ 185.10847 152.7
[M+K]+ 206.03781 139.2
[M+H-H2O]+ 150.07191 124.6
[M+HCOO]- 212.07285 156.8
[M+CH3COO]- 226.08850 185.8
[M+Na-2H]- 188.04932 137.1
[M]+ 167.07410 132.1
[M]- 167.07520 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