CID 373094

Nsc649014

Structural Information

Molecular Formula
C11H6F3NO2
SMILES
C1=CC=C2C(=C1)C3C(C2=O)N3C(=O)C(F)(F)F
InChI
InChI=1S/C11H6F3NO2/c12-11(13,14)10(17)15-7-5-3-1-2-4-6(5)9(16)8(7)15/h1-4,7-8H
InChIKey
LZKFDWVKQIDFDH-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroacetyl)-1a,6a-dihydroindeno[1,2-b]azirin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.03506 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04234 147.5
[M+Na]+ 264.02428 160.5
[M-H]- 240.02778 149.2
[M+NH4]+ 259.06888 163.1
[M+K]+ 279.99822 154.8
[M+H-H2O]+ 224.03232 139.7
[M+HCOO]- 286.03326 163.9
[M+CH3COO]- 300.04891 194.5
[M+Na-2H]- 262.00973 151.8
[M]+ 241.03451 148.4
[M]- 241.03561 148.4
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.