CID 71464270

7,8-difluoroquinoline-2-carbaldehyde

Structural Information

Molecular Formula
C10H5F2NO
SMILES
C1=CC(=NC2=C1C=CC(=C2F)F)C=O
InChI
InChI=1S/C10H5F2NO/c11-8-4-2-6-1-3-7(5-14)13-10(6)9(8)12/h1-5H
InChIKey
WVSIGANJBYYEBZ-UHFFFAOYSA-N
Compound name
7,8-difluoroquinoline-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

193.03392 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04120 134.1
[M+Na]+ 216.02314 145.9
[M-H]- 192.02664 135.6
[M+NH4]+ 211.06774 153.9
[M+K]+ 231.99708 141.7
[M+H-H2O]+ 176.03118 126.0
[M+HCOO]- 238.03212 155.3
[M+CH3COO]- 252.04777 184.4
[M+Na-2H]- 214.00859 141.9
[M]+ 193.03337 133.4
[M]- 193.03447 133.4
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