CID 2773609

(4-chloro-2-fluorophenyl)methanol

Structural Information

Molecular Formula
C7H6ClFO
SMILES
C1=CC(=C(C=C1Cl)F)CO
InChI
InChI=1S/C7H6ClFO/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
InChIKey
XUZRWKWJKDCQNA-UHFFFAOYSA-N
Compound name
(4-chloro-2-fluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

424
Patents

160.00912 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.01640 125.1
[M+Na]+ 182.99834 135.7
[M-H]- 159.00184 126.8
[M+NH4]+ 178.04294 146.7
[M+K]+ 198.97228 131.5
[M+H-H2O]+ 143.00638 120.6
[M+HCOO]- 205.00732 143.5
[M+CH3COO]- 219.02297 173.5
[M+Na-2H]- 180.98379 131.7
[M]+ 160.00857 125.5
[M]- 160.00967 125.5
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