CID 53440603

2,6-dichloro-4-fluorobenzaldehyde

Structural Information

Molecular Formula
C7H3Cl2FO
SMILES
C1=C(C=C(C(=C1Cl)C=O)Cl)F
InChI
InChI=1S/C7H3Cl2FO/c8-6-1-4(10)2-7(9)5(6)3-11/h1-3H
InChIKey
UOQMGQYMDHYXTB-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

191.9545 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.96178 128.3
[M+Na]+ 214.94372 140.8
[M-H]- 190.94722 131.0
[M+NH4]+ 209.98832 149.9
[M+K]+ 230.91766 135.5
[M+H-H2O]+ 174.95176 124.5
[M+HCOO]- 236.95270 143.3
[M+CH3COO]- 250.96835 181.2
[M+Na-2H]- 212.92917 134.0
[M]+ 191.95395 131.3
[M]- 191.95505 131.3
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

patents stripe