CID 2736891

2,2-difluoro-1,3-dioxaindan-4-amine

Structural Information

Molecular Formula
C7H5F2NO2
SMILES
C1=CC(=C2C(=C1)OC(O2)(F)F)N
InChI
InChI=1S/C7H5F2NO2/c8-7(9)11-5-3-1-2-4(10)6(5)12-7/h1-3H,10H2
InChIKey
RXIKYXZKSIARLN-UHFFFAOYSA-N
Compound name
2,2-difluoro-1,3-benzodioxol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

435
Patents

173.02884 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.03612 127.6
[M+Na]+ 196.01806 138.5
[M-H]- 172.02156 131.3
[M+NH4]+ 191.06266 150.0
[M+K]+ 211.99200 138.2
[M+H-H2O]+ 156.02610 121.8
[M+HCOO]- 218.02704 148.9
[M+CH3COO]- 232.04269 178.6
[M+Na-2H]- 194.00351 136.4
[M]+ 173.02829 126.3
[M]- 173.02939 126.3
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

patents stripe