CID 3041040

2-amino-4-chloro-6-ethylphenol

Structural Information

Molecular Formula
C8H10ClNO
SMILES
CCC1=C(C(=CC(=C1)Cl)N)O
InChI
InChI=1S/C8H10ClNO/c1-2-5-3-6(9)4-7(10)8(5)11/h3-4,11H,2,10H2,1H3
InChIKey
ZJCIKASBHYGEDG-UHFFFAOYSA-N
Compound name
2-amino-4-chloro-6-ethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

171.04509 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05237 133.1
[M+Na]+ 194.03431 143.3
[M-H]- 170.03781 135.8
[M+NH4]+ 189.07891 154.0
[M+K]+ 210.00825 138.9
[M+H-H2O]+ 154.04235 129.2
[M+HCOO]- 216.04329 152.6
[M+CH3COO]- 230.05894 179.2
[M+Na-2H]- 192.01976 138.0
[M]+ 171.04454 133.6
[M]- 171.04564 133.6
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