CID 72710412

2-amino-4,6-difluorobenzaldehyde

Structural Information

Molecular Formula
C7H5F2NO
SMILES
C1=C(C=C(C(=C1N)C=O)F)F
InChI
InChI=1S/C7H5F2NO/c8-4-1-6(9)5(3-11)7(10)2-4/h1-3H,10H2
InChIKey
VANKEUNZTVVEDG-UHFFFAOYSA-N
Compound name
2-amino-4,6-difluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

157.03392 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.041196 125.2
[M+Na]+ 180.023138 135.8
[M-H]- 156.026644 126.8
[M+NH4]+ 175.067743 146.2
[M+K]+ 195.997078 133.0
[M+H-H2O]+ 140.031180 118.3
[M+HCOO]- 202.032121 149.1
[M+CH3COO]- 216.047771 179.4
[M+Na-2H]- 178.008586 130.4
[M]+ 157.03337142 122.1
[M]- 157.03446858 122.1
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