CID 25324465

1391465-25-0

Structural Information

Molecular Formula
C8H9ClFN
SMILES
C[C@H](C1=C(C=C(C=C1)F)Cl)N
InChI
InChI=1S/C8H9ClFN/c1-5(11)7-3-2-6(10)4-8(7)9/h2-5H,11H2,1H3/t5-/m1/s1
InChIKey
JTMGFESJCXOUCW-RXMQYKEDSA-N
Compound name
(1R)-1-(2-chloro-4-fluorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

173.04076 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.04804 132.2
[M+Na]+ 196.02998 141.6
[M-H]- 172.03348 134.5
[M+NH4]+ 191.07458 153.3
[M+K]+ 212.00392 137.6
[M+H-H2O]+ 156.03802 127.0
[M+HCOO]- 218.03896 150.9
[M+CH3COO]- 232.05461 182.1
[M+Na-2H]- 194.01543 136.5
[M]+ 173.04021 131.0
[M]- 173.04131 131.0
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