CID 3260062

2,3-dichloro-6-fluorobenzaldehyde

Structural Information

Molecular Formula
C7H3Cl2FO
SMILES
C1=CC(=C(C(=C1F)C=O)Cl)Cl
InChI
InChI=1S/C7H3Cl2FO/c8-5-1-2-6(10)4(3-11)7(5)9/h1-3H
InChIKey
BDPIHKOPKWGJCU-UHFFFAOYSA-N
Compound name
2,3-dichloro-6-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
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

No literature data available for this compound.

Patent stripe

patents stripe