CID 12268242

3-chloro-n-ethylaniline

Structural Information

Molecular Formula
C8H10ClN
SMILES
CCNC1=CC(=CC=C1)Cl
InChI
InChI=1S/C8H10ClN/c1-2-10-8-5-3-4-7(9)6-8/h3-6,10H,2H2,1H3
InChIKey
LUNFYXBUYWMPBY-UHFFFAOYSA-N
Compound name
3-chloro-N-ethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

271
Patents

155.05017 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.057446 129.6
[M+Na]+ 178.039388 138.3
[M-H]- 154.042894 133.3
[M+NH4]+ 173.083993 151.5
[M+K]+ 194.013328 134.6
[M+H-H2O]+ 138.047430 125.0
[M+HCOO]- 200.048371 150.9
[M+CH3COO]- 214.064021 178.1
[M+Na-2H]- 176.024836 137.5
[M]+ 155.04962142 130.7
[M]- 155.05071858 130.7
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