CID 43248506

2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)propan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H10F5NO
SMILES
COC1=CC=C(C=C1)C(C(C(F)(F)F)(F)F)N
InChI
InChI=1S/C10H10F5NO/c1-17-7-4-2-6(3-5-7)8(16)9(11,12)10(13,14)15/h2-5,8H,16H2,1H3
InChIKey
RZJPCMLZXWWMEL-UHFFFAOYSA-N
Compound name
2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.06825 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07553 149.8
[M+Na]+ 278.05747 157.8
[M-H]- 254.06097 146.7
[M+NH4]+ 273.10207 166.2
[M+K]+ 294.03141 154.9
[M+H-H2O]+ 238.06551 140.1
[M+HCOO]- 300.06645 165.1
[M+CH3COO]- 314.08210 196.7
[M+Na-2H]- 276.04292 153.2
[M]+ 255.06770 142.2
[M]- 255.06880 142.2
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

No patent data available for this compound.