CID 24708460

936497-95-9

Structural Information

Molecular Formula
C10H3ClF2N2
SMILES
C1=CC(=C2C(=C1F)C(=C(C=N2)C#N)Cl)F
InChI
InChI=1S/C10H3ClF2N2/c11-9-5(3-14)4-15-10-7(13)2-1-6(12)8(9)10/h1-2,4H
InChIKey
SAOAHJVPSRSWBU-UHFFFAOYSA-N
Compound name
4-chloro-5,8-difluoroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.99529 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.00257 138.8
[M+Na]+ 246.98451 153.5
[M-H]- 222.98801 139.5
[M+NH4]+ 242.02911 156.4
[M+K]+ 262.95845 146.2
[M+H-H2O]+ 206.99255 125.3
[M+HCOO]- 268.99349 152.1
[M+CH3COO]- 283.00914 150.9
[M+Na-2H]- 244.96996 144.9
[M]+ 223.99474 134.5
[M]- 223.99584 134.5
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.