CID 121553066

1909327-49-6

Structural Information

Molecular Formula
C10H11ClFN
SMILES
C1CC(C2=C(C1)C(=CC(=C2)Cl)F)N
InChI
InChI=1S/C10H11ClFN/c11-6-4-8-7(9(12)5-6)2-1-3-10(8)13/h4-5,10H,1-3,13H2
InChIKey
YIXVWVJASOXRJT-UHFFFAOYSA-N
Compound name
7-chloro-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.05641 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.063686 139.0
[M+Na]+ 222.045628 148.3
[M-H]- 198.049134 141.7
[M+NH4]+ 217.090233 160.2
[M+K]+ 238.019568 142.9
[M+H-H2O]+ 182.053670 133.5
[M+HCOO]- 244.054611 155.0
[M+CH3COO]- 258.070261 186.5
[M+Na-2H]- 220.031076 144.0
[M]+ 199.05586142 135.6
[M]- 199.05695858 135.6
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.