CID 2775753

40832-82-4

Structural Information

Molecular Formula
C11H11F3N2O2
SMILES
C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C11H11F3N2O2/c12-11(13,14)8-3-4-9(10(7-8)16(17)18)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2
InChIKey
UHQZHRWBRICNEH-UHFFFAOYSA-N
Compound name
1-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

260.07727 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08455 151.7
[M+Na]+ 283.06649 158.5
[M-H]- 259.06999 153.3
[M+NH4]+ 278.11109 168.0
[M+K]+ 299.04043 151.3
[M+H-H2O]+ 243.07453 146.9
[M+HCOO]- 305.07547 170.1
[M+CH3COO]- 319.09112 187.8
[M+Na-2H]- 281.05194 156.4
[M]+ 260.07672 143.8
[M]- 260.07782 143.8
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

patents stripe