CID 84767025

2-amino-6-chloro-3-fluoro-4-methylphenol

Structural Information

Molecular Formula
C7H7ClFNO
SMILES
CC1=CC(=C(C(=C1F)N)O)Cl
InChI
InChI=1S/C7H7ClFNO/c1-3-2-4(8)7(11)6(10)5(3)9/h2,11H,10H2,1H3
InChIKey
WIMSJDDSVIIQIM-UHFFFAOYSA-N
Compound name
2-amino-6-chloro-3-fluoro-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.02002 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.027296 130.3
[M+Na]+ 198.009238 141.9
[M-H]- 174.012744 132.1
[M+NH4]+ 193.053843 151.3
[M+K]+ 213.983178 137.3
[M+H-H2O]+ 158.017280 125.9
[M+HCOO]- 220.018221 149.0
[M+CH3COO]- 234.033871 180.1
[M+Na-2H]- 195.994686 134.4
[M]+ 175.01947142 129.7
[M]- 175.02056858 129.7
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

No patent data available for this compound.