CID 74021

2-chloro-4-(dimethylamino)benzaldehyde

Structural Information

Molecular Formula
C9H10ClNO
SMILES
CN(C)C1=CC(=C(C=C1)C=O)Cl
InChI
InChI=1S/C9H10ClNO/c1-11(2)8-4-3-7(6-12)9(10)5-8/h3-6H,1-2H3
InChIKey
XSQFAWMDRFSIMY-UHFFFAOYSA-N
Compound name
2-chloro-4-(dimethylamino)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

617
Patents

183.04509 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05237 135.4
[M+Na]+ 206.03431 149.5
[M+NH4]+ 201.07891 144.8
[M+K]+ 222.00825 142.3
[M-H]- 182.03781 138.8
[M+Na-2H]- 204.01976 143.3
[M]+ 183.04454 138.7
[M]- 183.04564 138.7
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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