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]+ 242.042336 147.5
[M+Na]+ 264.024278 160.5
[M-H]- 240.027784 149.2
[M+NH4]+ 259.068883 163.1
[M+K]+ 279.998218 154.8
[M+H-H2O]+ 224.032320 139.7
[M+HCOO]- 286.033261 163.9
[M+CH3COO]- 300.048911 194.5
[M+Na-2H]- 262.009726 151.8
[M]+ 241.03451142 148.4
[M]- 241.03560858 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.