CID 62719859

3,3-difluoro-1-phenylpropan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H11F2N
SMILES
C1=CC=C(C=C1)C(CC(F)F)N
InChI
InChI=1S/C9H11F2N/c10-9(11)6-8(12)7-4-2-1-3-5-7/h1-5,8-9H,6,12H2
InChIKey
OIMJQEDMHQJITI-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-phenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

171.08595 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.093226 134.8
[M+Na]+ 194.075168 140.9
[M-H]- 170.078674 135.0
[M+NH4]+ 189.119773 154.3
[M+K]+ 210.049108 138.6
[M+H-H2O]+ 154.083210 127.0
[M+HCOO]- 216.084151 155.6
[M+CH3COO]- 230.099801 182.7
[M+Na-2H]- 192.060616 138.5
[M]+ 171.08540142 129.3
[M]- 171.08649858 129.3
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