CID 43512128

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

Structural Information

Molecular Formula
C10H11F2NO
SMILES
CNC1CCOC2=C1C=C(C=C2F)F
InChI
InChI=1S/C10H11F2NO/c1-13-9-2-3-14-10-7(9)4-6(11)5-8(10)12/h4-5,9,13H,2-3H2,1H3
InChIKey
ITNZUPIFLYRNQG-UHFFFAOYSA-N
Compound name
6,8-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.08087 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08815 138.8
[M+Na]+ 222.07009 147.4
[M-H]- 198.07359 141.5
[M+NH4]+ 217.11469 158.0
[M+K]+ 238.04403 145.3
[M+H-H2O]+ 182.07813 131.1
[M+HCOO]- 244.07907 158.2
[M+CH3COO]- 258.09472 188.1
[M+Na-2H]- 220.05554 145.6
[M]+ 199.08032 135.2
[M]- 199.08142 135.2
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.