CID 46942366

184375-75-5

Structural Information

Molecular Formula
C9H8F3NO
SMILES
C1CC2=C(C1)NC(=O)C=C2C(F)(F)F
InChI
InChI=1S/C9H8F3NO/c10-9(11,12)6-4-8(14)13-7-3-1-2-5(6)7/h4H,1-3H2,(H,13,14)
InChIKey
GSJGKNLMGQIWJH-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

203.0558 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06308 137.7
[M+Na]+ 226.04502 147.8
[M-H]- 202.04852 136.1
[M+NH4]+ 221.08962 158.0
[M+K]+ 242.01896 143.5
[M+H-H2O]+ 186.05306 130.0
[M+HCOO]- 248.05400 154.3
[M+CH3COO]- 262.06965 180.5
[M+Na-2H]- 224.03047 142.6
[M]+ 203.05525 131.9
[M]- 203.05635 131.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe