CID 84651131

5-chloro-2-fluoro-4-methylphenol

Structural Information

Molecular Formula
C7H6ClFO
SMILES
CC1=CC(=C(C=C1Cl)O)F
InChI
InChI=1S/C7H6ClFO/c1-4-2-6(9)7(10)3-5(4)8/h2-3,10H,1H3
InChIKey
MFRDDJNNRQVJHD-UHFFFAOYSA-N
Compound name
5-chloro-2-fluoro-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

160.00912 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.01640 124.4
[M+Na]+ 182.99834 136.0
[M-H]- 159.00184 126.5
[M+NH4]+ 178.04294 146.4
[M+K]+ 198.97228 131.8
[M+H-H2O]+ 143.00638 120.2
[M+HCOO]- 205.00732 142.9
[M+CH3COO]- 219.02297 174.6
[M+Na-2H]- 180.98379 130.4
[M]+ 160.00857 125.2
[M]- 160.00967 125.2
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