CID 22399503

2-amino-3-fluorobenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

139.04333 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.05061 122.8
[M+Na]+ 162.03255 132.5
[M-H]- 138.03605 125.6
[M+NH4]+ 157.07715 144.4
[M+K]+ 178.00649 130.2
[M+H-H2O]+ 122.04059 116.8
[M+HCOO]- 184.04153 147.9
[M+CH3COO]- 198.05718 175.4
[M+Na-2H]- 160.01800 129.5
[M]+ 139.04278 120.6
[M]- 139.04388 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