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]+ 196.04045 135.0
[M+Na]+ 218.02239 146.5
[M-H]- 194.02589 136.6
[M+NH4]+ 213.06699 155.9
[M+K]+ 233.99633 143.1
[M+H-H2O]+ 178.03043 128.9
[M+HCOO]- 240.03137 155.9
[M+CH3COO]- 254.04702 180.9
[M+Na-2H]- 216.00784 139.2
[M]+ 195.03262 135.1
[M]- 195.03372 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