CID 1268278

6-chloro-2-fluoro-3-methylbenzaldehyde

Structural Information

Molecular Formula
C8H6ClFO
SMILES
CC1=C(C(=C(C=C1)Cl)C=O)F
InChI
InChI=1S/C8H6ClFO/c1-5-2-3-7(9)6(4-11)8(5)10/h2-4H,1H3
InChIKey
GGZOMBUJFMOEEZ-UHFFFAOYSA-N
Compound name
6-chloro-2-fluoro-3-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

172.00912 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.01640 129.4
[M+Na]+ 194.99834 144.0
[M+NH4]+ 190.04294 138.4
[M+K]+ 210.97228 136.5
[M-H]- 171.00184 130.7
[M+Na-2H]- 192.98379 136.7
[M]+ 172.00857 132.2
[M]- 172.00967 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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