CID 736335

3-chloro-2-fluorobenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

937
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

literature stripe

Patent stripe

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