CID 78960941

(1s)-1-(5-chloro-2-fluorophenyl)propan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H11ClFN
SMILES
CC[C@@H](C1=C(C=CC(=C1)Cl)F)N
InChI
InChI=1S/C9H11ClFN/c1-2-9(12)7-5-6(10)3-4-8(7)11/h3-5,9H,2,12H2,1H3/t9-/m0/s1
InChIKey
XOMRNCOSOIPYEU-VIFPVBQESA-N
Compound name
(1S)-1-(5-chloro-2-fluorophenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.05641 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.063686 136.9
[M+Na]+ 210.045628 146.0
[M-H]- 186.049134 139.0
[M+NH4]+ 205.090233 157.5
[M+K]+ 226.019568 141.6
[M+H-H2O]+ 170.053670 131.5
[M+HCOO]- 232.054611 155.3
[M+CH3COO]- 246.070261 185.1
[M+Na-2H]- 208.031076 140.7
[M]+ 187.05586142 136.1
[M]- 187.05695858 136.1
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

No patent data available for this compound.