CID 60970601

8-chloro-6-fluoro-n-methyl-3,4-dihydro-2h-1-benzopyran-4-amine hydrochloride

Structural Information

Molecular Formula
C10H11ClFNO
SMILES
CNC1CCOC2=C1C=C(C=C2Cl)F
InChI
InChI=1S/C10H11ClFNO/c1-13-9-2-3-14-10-7(9)4-6(12)5-8(10)11/h4-5,9,13H,2-3H2,1H3
InChIKey
DBDJBEMXEKLFFD-UHFFFAOYSA-N
Compound name
8-chloro-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.05132 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.05860 142.6
[M+Na]+ 238.04054 151.9
[M-H]- 214.04404 146.5
[M+NH4]+ 233.08514 162.1
[M+K]+ 254.01448 148.5
[M+H-H2O]+ 198.04858 136.7
[M+HCOO]- 260.04952 158.5
[M+CH3COO]- 274.06517 189.2
[M+Na-2H]- 236.02599 149.5
[M]+ 215.05077 142.3
[M]- 215.05187 142.3
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.