CID 12338307

4-chloro-2,5-dimethylaniline

Structural Information

Molecular Formula
C8H10ClN
SMILES
CC1=CC(=C(C=C1Cl)C)N
InChI
InChI=1S/C8H10ClN/c1-5-4-8(10)6(2)3-7(5)9/h3-4H,10H2,1-2H3
InChIKey
POEANWWEPFQEEF-UHFFFAOYSA-N
Compound name
4-chloro-2,5-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

187
Patents

155.05017 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.057446 129.4
[M+Na]+ 178.039388 140.1
[M-H]- 154.042894 133.5
[M+NH4]+ 173.083993 151.7
[M+K]+ 194.013328 136.0
[M+H-H2O]+ 138.047430 125.5
[M+HCOO]- 200.048371 150.1
[M+CH3COO]- 214.064021 179.7
[M+Na-2H]- 176.024836 134.8
[M]+ 155.04962142 130.3
[M]- 155.05071858 130.3
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