CID 14944905

2-chloro-3-fluorobenzaldehyde

Structural Information

Molecular Formula
C7H4ClFO
SMILES
C1=CC(=C(C(=C1)F)Cl)C=O
InChI
InChI=1S/C7H4ClFO/c8-7-5(4-10)2-1-3-6(7)9/h1-4H
InChIKey
PIZVRLVKXWEMGO-UHFFFAOYSA-N
Compound name
2-chloro-3-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

354
Patents

157.99347 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.00075 125.0
[M+Na]+ 180.98269 139.4
[M+NH4]+ 176.02729 134.1
[M+K]+ 196.95663 132.0
[M-H]- 156.98619 126.3
[M+Na-2H]- 178.96814 132.7
[M]+ 157.99292 127.7
[M]- 157.99402 127.7
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

patents stripe