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]+ 206.04234 135.6
[M+Na]+ 228.02428 145.7
[M-H]- 204.02778 137.6
[M+NH4]+ 223.06888 156.4
[M+K]+ 243.99822 145.2
[M+H-H2O]+ 188.03232 129.1
[M+HCOO]- 250.03326 153.9
[M+CH3COO]- 264.04891 183.0
[M+Na-2H]- 226.00973 144.7
[M]+ 205.03451 132.4
[M]- 205.03561 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.