CID 75790

3-chloro-4-fluorophenol

Structural Information

Molecular Formula
C6H4ClFO
SMILES
C1=CC(=C(C=C1O)Cl)F
InChI
InChI=1S/C6H4ClFO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H
InChIKey
ZQXLIXHVJVAPLW-UHFFFAOYSA-N
Compound name
3-chloro-4-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1437
Patents

145.99347 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.00075 120.3
[M+Na]+ 168.98269 131.3
[M-H]- 144.98619 122.2
[M+NH4]+ 164.02729 142.5
[M+K]+ 184.95663 127.4
[M+H-H2O]+ 128.99073 116.0
[M+HCOO]- 190.99167 139.1
[M+CH3COO]- 205.00732 170.5
[M+Na-2H]- 166.96814 127.5
[M]+ 145.99292 120.3
[M]- 145.99402 120.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe