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

16
Patents

215.0394 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.046676 139.4
[M+Na]+ 238.028618 149.4
[M-H]- 214.032124 143.4
[M+NH4]+ 233.073223 160.1
[M+K]+ 254.002558 149.4
[M+H-H2O]+ 198.036660 133.2
[M+HCOO]- 260.037601 160.0
[M+CH3COO]- 274.053251 186.9
[M+Na-2H]- 236.014066 147.0
[M]+ 215.03885142 139.7
[M]- 215.03994858 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