CID 23445092

3-(1,1-difluoroethyl)aniline hydrochloride

Structural Information

Molecular Formula
C8H9F2N
SMILES
CC(C1=CC(=CC=C1)N)(F)F
InChI
InChI=1S/C8H9F2N/c1-8(9,10)6-3-2-4-7(11)5-6/h2-5H,11H2,1H3
InChIKey
QDGJIBRTFXRYTH-UHFFFAOYSA-N
Compound name
3-(1,1-difluoroethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

157.07031 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.07759 132.1
[M+Na]+ 180.05953 142.5
[M+NH4]+ 175.10413 139.7
[M+K]+ 196.03347 136.9
[M-H]- 156.06303 131.8
[M+Na-2H]- 178.04498 138.2
[M]+ 157.06976 133.3
[M]- 157.07086 133.3
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