CID 4982711

2-chloro-4-fluorobenzyl alcohol

Structural Information

Molecular Formula
C7H6ClFO
SMILES
C1=CC(=C(C=C1F)Cl)CO
InChI
InChI=1S/C7H6ClFO/c8-7-3-6(9)2-1-5(7)4-10/h1-3,10H,4H2
InChIKey
ZUHMDLLAHZUDRE-UHFFFAOYSA-N
Compound name
(2-chloro-4-fluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

249
Patents

160.00912 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.016396 125.1
[M+Na]+ 182.998338 135.7
[M-H]- 159.001844 126.8
[M+NH4]+ 178.042943 146.7
[M+K]+ 198.972278 131.5
[M+H-H2O]+ 143.006380 120.6
[M+HCOO]- 205.007321 143.5
[M+CH3COO]- 219.022971 173.5
[M+Na-2H]- 180.983786 131.7
[M]+ 160.00857142 125.5
[M]- 160.00966858 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