CID 15740755

2-amino-5-fluorobenzaldehyde

Structural Information

Molecular Formula
C7H6FNO
SMILES
C1=CC(=C(C=C1F)C=O)N
InChI
InChI=1S/C7H6FNO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H,9H2
InChIKey
SGCVNTNJULWFDC-UHFFFAOYSA-N
Compound name
2-amino-5-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

139.04333 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.050606 122.8
[M+Na]+ 162.032548 132.5
[M-H]- 138.036054 125.6
[M+NH4]+ 157.077153 144.4
[M+K]+ 178.006488 130.2
[M+H-H2O]+ 122.040590 116.8
[M+HCOO]- 184.041531 147.9
[M+CH3COO]- 198.057181 175.4
[M+Na-2H]- 160.017996 129.5
[M]+ 139.04278142 120.6
[M]- 139.04387858 120.6
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