CID 15033371

146628-55-9

Structural Information

Molecular Formula
C8H6F3NO2
SMILES
C1=CC=C2C(=C1)OC(O2)(C(F)(F)F)N
InChI
InChI=1S/C8H6F3NO2/c9-7(10,11)8(12)13-5-3-1-2-4-6(5)14-8/h1-4H,12H2
InChIKey
DBWUPJGZOLJPLU-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-1,3-benzodioxol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.03506 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.042336 135.6
[M+Na]+ 228.024278 145.7
[M-H]- 204.027784 137.6
[M+NH4]+ 223.068883 156.4
[M+K]+ 243.998218 145.2
[M+H-H2O]+ 188.032320 129.1
[M+HCOO]- 250.033261 153.9
[M+CH3COO]- 264.048911 183.0
[M+Na-2H]- 226.009726 144.7
[M]+ 205.03451142 132.4
[M]- 205.03560858 132.4
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.