CID 45599547

1065087-84-4

Structural Information

Molecular Formula
C10H5BrF3NO
SMILES
C1=CC2=C(C=C1C(F)(F)F)C(=O)C(=CN2)Br
InChI
InChI=1S/C10H5BrF3NO/c11-7-4-15-8-2-1-5(10(12,13)14)3-6(8)9(7)16/h1-4H,(H,15,16)
InChIKey
PBWDPZFUWZPUKK-UHFFFAOYSA-N
Compound name
3-bromo-6-(trifluoromethyl)-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.95065 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.95793 154.3
[M+Na]+ 313.93987 168.6
[M-H]- 289.94337 156.0
[M+NH4]+ 308.98447 173.2
[M+K]+ 329.91381 155.2
[M+H-H2O]+ 273.94791 152.3
[M+HCOO]- 335.94885 169.0
[M+CH3COO]- 349.96450 194.1
[M+Na-2H]- 311.92532 161.8
[M]+ 290.95010 168.7
[M]- 290.95120 168.7
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.