CID 2776987

2,2,5-trifluoro-1,3-benzodioxole

Structural Information

Molecular Formula
C7H3F3O2
SMILES
C1=CC2=C(C=C1F)OC(O2)(F)F
InChI
InChI=1S/C7H3F3O2/c8-4-1-2-5-6(3-4)12-7(9,10)11-5/h1-3H
InChIKey
SNHQSYSJSWODIQ-UHFFFAOYSA-N
Compound name
2,2,5-trifluoro-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

176.00851 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.01579 125.2
[M+Na]+ 198.99773 137.1
[M-H]- 175.00123 128.2
[M+NH4]+ 194.04233 148.0
[M+K]+ 214.97167 136.9
[M+H-H2O]+ 159.00577 118.9
[M+HCOO]- 221.00671 145.2
[M+CH3COO]- 235.02236 177.2
[M+Na-2H]- 196.98318 134.1
[M]+ 176.00796 124.4
[M]- 176.00906 124.4
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

patents stripe