CID 15767317

N-(2,2-difluoro-1,3-dioxaindan-5-yl)acetamide

Structural Information

Molecular Formula
C9H7F2NO3
SMILES
CC(=O)NC1=CC2=C(C=C1)OC(O2)(F)F
InChI
InChI=1S/C9H7F2NO3/c1-5(13)12-6-2-3-7-8(4-6)15-9(10,11)14-7/h2-4H,1H3,(H,12,13)
InChIKey
LGSMRDRDHHFMJP-UHFFFAOYSA-N
Compound name
N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

215.0394 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.04668 139.4
[M+Na]+ 238.02862 149.4
[M-H]- 214.03212 143.4
[M+NH4]+ 233.07322 160.1
[M+K]+ 254.00256 149.4
[M+H-H2O]+ 198.03666 133.2
[M+HCOO]- 260.03760 160.0
[M+CH3COO]- 274.05325 186.9
[M+Na-2H]- 236.01407 147.0
[M]+ 215.03885 139.7
[M]- 215.03995 139.7
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