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

37
Patents

157.03392 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04120 125.2
[M+Na]+ 180.02314 135.8
[M-H]- 156.02664 126.8
[M+NH4]+ 175.06774 146.2
[M+K]+ 195.99708 133.0
[M+H-H2O]+ 140.03118 118.3
[M+HCOO]- 202.03212 149.1
[M+CH3COO]- 216.04777 179.4
[M+Na-2H]- 178.00859 130.4
[M]+ 157.03337 122.1
[M]- 157.03447 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