CID 131504649

1-(3-aminophenyl)-2,2-difluoroethan-1-one hydrochloride

Structural Information

Molecular Formula
C8H7F2NO
SMILES
C1=CC(=CC(=C1)N)C(=O)C(F)F
InChI
InChI=1S/C8H7F2NO/c9-8(10)7(12)5-2-1-3-6(11)4-5/h1-4,8H,11H2
InChIKey
VGLWUPPJLWVAPU-UHFFFAOYSA-N
Compound name
1-(3-aminophenyl)-2,2-difluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

171.04958 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.056856 131.5
[M+Na]+ 194.038798 139.2
[M-H]- 170.042304 132.3
[M+NH4]+ 189.083403 151.2
[M+K]+ 210.012738 137.1
[M+H-H2O]+ 154.046840 124.1
[M+HCOO]- 216.047781 153.1
[M+CH3COO]- 230.063431 181.9
[M+Na-2H]- 192.024246 135.0
[M]+ 171.04903142 126.8
[M]- 171.05012858 126.8
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