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

2
Patents

171.04958 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05686 131.5
[M+Na]+ 194.03880 139.2
[M-H]- 170.04230 132.3
[M+NH4]+ 189.08340 151.2
[M+K]+ 210.01274 137.1
[M+H-H2O]+ 154.04684 124.1
[M+HCOO]- 216.04778 153.1
[M+CH3COO]- 230.06343 181.9
[M+Na-2H]- 192.02425 135.0
[M]+ 171.04903 126.8
[M]- 171.05013 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