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

1037
Patents

183.04509 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.052366 135.2
[M+Na]+ 206.034308 144.9
[M-H]- 182.037814 140.8
[M+NH4]+ 201.078913 156.9
[M+K]+ 222.008248 142.2
[M+H-H2O]+ 166.042350 130.3
[M+HCOO]- 228.043291 157.2
[M+CH3COO]- 242.058941 186.9
[M+Na-2H]- 204.019756 141.1
[M]+ 183.04454142 139.2
[M]- 183.04563858 139.2
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