CID 57685590

2-(2,4-difluorophenyl)propan-2-amine hydrochloride

Structural Information

Molecular Formula
C9H11F2N
SMILES
CC(C)(C1=C(C=C(C=C1)F)F)N
InChI
InChI=1S/C9H11F2N/c1-9(2,12)7-4-3-6(10)5-8(7)11/h3-5H,12H2,1-2H3
InChIKey
YCSMHINNGHMSKR-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

171.08595 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.093226 133.1
[M+Na]+ 194.075168 142.2
[M-H]- 170.078674 134.4
[M+NH4]+ 189.119773 153.6
[M+K]+ 210.049108 139.4
[M+H-H2O]+ 154.083210 126.5
[M+HCOO]- 216.084151 154.4
[M+CH3COO]- 230.099801 183.6
[M+Na-2H]- 192.060616 138.6
[M]+ 171.08540142 129.2
[M]- 171.08649858 129.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe