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]+ 176.02730 130.3
[M+Na]+ 198.00924 141.9
[M-H]- 174.01274 132.1
[M+NH4]+ 193.05384 151.3
[M+K]+ 213.98318 137.3
[M+H-H2O]+ 158.01728 125.9
[M+HCOO]- 220.01822 149.0
[M+CH3COO]- 234.03387 180.1
[M+Na-2H]- 195.99469 134.4
[M]+ 175.01947 129.7
[M]- 175.02057 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.