CID 21868607

813424-17-8

Structural Information

Molecular Formula
C8H6F2N2O
SMILES
C1=CC2=C(C=C1N)C(C(=O)N2)(F)F
InChI
InChI=1S/C8H6F2N2O/c9-8(10)5-3-4(11)1-2-6(5)12-7(8)13/h1-3H,11H2,(H,12,13)
InChIKey
HRWISVRCOFVMGR-UHFFFAOYSA-N
Compound name
5-amino-3,3-difluoro-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

184.04482 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.052096 132.1
[M+Na]+ 207.034038 143.3
[M-H]- 183.037544 131.9
[M+NH4]+ 202.078643 154.8
[M+K]+ 223.007978 138.8
[M+H-H2O]+ 167.042080 125.5
[M+HCOO]- 229.043021 152.2
[M+CH3COO]- 243.058671 179.9
[M+Na-2H]- 205.019486 137.4
[M]+ 184.04427142 126.8
[M]- 184.04536858 126.8
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