CID 83855706

2-(1,1-difluoroethyl)aniline hydrochloride

Structural Information

Molecular Formula
C8H9F2N
SMILES
CC(C1=CC=CC=C1N)(F)F
InChI
InChI=1S/C8H9F2N/c1-8(9,10)6-4-2-3-5-7(6)11/h2-5H,11H2,1H3
InChIKey
MYFWYNSEHNDLEF-UHFFFAOYSA-N
Compound name
2-(1,1-difluoroethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

157.07031 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.07759 128.8
[M+Na]+ 180.05953 137.3
[M-H]- 156.06303 129.8
[M+NH4]+ 175.10413 149.5
[M+K]+ 196.03347 134.8
[M+H-H2O]+ 140.06757 122.1
[M+HCOO]- 202.06851 150.4
[M+CH3COO]- 216.08416 179.4
[M+Na-2H]- 178.04498 135.5
[M]+ 157.06976 124.1
[M]- 157.07086 124.1
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