CID 22274397

126480-30-6

Structural Information

Molecular Formula
C9H6FNO3
SMILES
COC1=C(C=CC2=C1NC(=O)C2=O)F
InChI
InChI=1S/C9H6FNO3/c1-14-8-5(10)3-2-4-6(8)11-9(13)7(4)12/h2-3H,1H3,(H,11,12,13)
InChIKey
SRWISUZBZWZTCI-UHFFFAOYSA-N
Compound name
6-fluoro-7-methoxy-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

195.03317 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.040446 135.0
[M+Na]+ 218.022388 146.5
[M-H]- 194.025894 136.6
[M+NH4]+ 213.066993 155.9
[M+K]+ 233.996328 143.1
[M+H-H2O]+ 178.030430 128.9
[M+HCOO]- 240.031371 155.9
[M+CH3COO]- 254.047021 180.9
[M+Na-2H]- 216.007836 139.2
[M]+ 195.03262142 135.1
[M]- 195.03371858 135.1
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