CID 167726693

2-chloro-6,6-difluoro-5,6,7,8-tetrahydroquinoline

Structural Information

Molecular Formula
C9H8ClF2N
SMILES
C1CC(CC2=C1N=C(C=C2)Cl)(F)F
InChI
InChI=1S/C9H8ClF2N/c10-8-2-1-6-5-9(11,12)4-3-7(6)13-8/h1-2H,3-5H2
InChIKey
BMJMDAXCCQXVPH-UHFFFAOYSA-N
Compound name
2-chloro-6,6-difluoro-7,8-dihydro-5H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.03133 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.03861 136.0
[M+Na]+ 226.02055 146.5
[M-H]- 202.02405 136.6
[M+NH4]+ 221.06515 157.9
[M+K]+ 241.99449 141.6
[M+H-H2O]+ 186.02859 128.8
[M+HCOO]- 248.02953 149.6
[M+CH3COO]- 262.04518 148.9
[M+Na-2H]- 224.00600 143.4
[M]+ 203.03078 133.1
[M]- 203.03188 133.1
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.