CID 457617

90390-34-4

Structural Information

Molecular Formula
C8H9ClFN
SMILES
CNCC1=CC(=CC(=C1)Cl)F
InChI
InChI=1S/C8H9ClFN/c1-11-5-6-2-7(9)4-8(10)3-6/h2-4,11H,5H2,1H3
InChIKey
UXCAGNGRRXUUOK-UHFFFAOYSA-N
Compound name
1-(3-chloro-5-fluorophenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

173.04076 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.04804 131.4
[M+Na]+ 196.02998 141.1
[M-H]- 172.03348 134.1
[M+NH4]+ 191.07458 152.9
[M+K]+ 212.00392 137.0
[M+H-H2O]+ 156.03802 126.1
[M+HCOO]- 218.03896 151.7
[M+CH3COO]- 232.05461 181.9
[M+Na-2H]- 194.01543 138.0
[M]+ 173.04021 131.8
[M]- 173.04131 131.8
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