CID 72218229

1393560-43-4

Structural Information

Molecular Formula
C9H7F2NO2
SMILES
COC1=CC2=C(C=C1)C(C(=O)N2)(F)F
InChI
InChI=1S/C9H7F2NO2/c1-14-5-2-3-6-7(4-5)12-8(13)9(6,10)11/h2-4H,1H3,(H,12,13)
InChIKey
RTJFCSUUOUEDHP-UHFFFAOYSA-N
Compound name
3,3-difluoro-6-methoxy-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.04448 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.05176 135.6
[M+Na]+ 222.03370 147.1
[M-H]- 198.03720 135.9
[M+NH4]+ 217.07830 158.3
[M+K]+ 238.00764 143.4
[M+H-H2O]+ 182.04174 129.1
[M+HCOO]- 244.04268 155.2
[M+CH3COO]- 258.05833 180.7
[M+Na-2H]- 220.01915 141.1
[M]+ 199.04393 133.8
[M]- 199.04503 133.8
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

No patent data available for this compound.