CID 35683

3-(chloromethyl)phenol

Structural Information

Molecular Formula
C7H7ClO
SMILES
C1=CC(=CC(=C1)O)CCl
InChI
InChI=1S/C7H7ClO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H,5H2
InChIKey
ZFIKJVXBLFGISQ-UHFFFAOYSA-N
Compound name
3-(chloromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

142.01854 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.02582 123.5
[M+Na]+ 165.00776 133.1
[M-H]- 141.01126 126.2
[M+NH4]+ 160.05236 145.6
[M+K]+ 180.98170 129.4
[M+H-H2O]+ 125.01580 119.7
[M+HCOO]- 187.01674 143.0
[M+CH3COO]- 201.03239 169.7
[M+Na-2H]- 162.99321 131.3
[M]+ 142.01799 124.6
[M]- 142.01909 124.6
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